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Chemical ID: 4349040
Chemical ID:
4349040
Name [?]:
N-methyl-2-phenyl-4-phenylsulfonyl-oxazol-5-amine
SMILES [?]:
CNc1c(nc(o1)c2ccccc2)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C16H14N2O3S/c1-17-15-16(22(19,20)13-10-6-3-7-11-13)18-14(21-15)12-8-4-2-5-9-12/h2-11,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,20,10,12,19,21,9,13,18,22,8,17,6,3,4,2,5,15,16,7,14/E:(4,5)(6,7)(8,9)(10,11)(19,20)/CRV:22.6/rA:22nCNCCNCOCCCCCCSOOCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s10;d11;d8s12;s4;d14;d14;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.618 |
Area: | 502.675 |
Solvation: | -1.94885 |
Coulombic: | -36.0935 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 314.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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