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Chemical ID: 4993460
Chemical ID:
4993460
Name [?]:
2-methyl-4-(5-methylbenzooxazol-2-yl)-aniline
SMILES [?]:
Cc1ccc2c(c1)nc(o2)c3ccc(c(c3)C)N
InChi [?]:
InChI=1/C15H14N2O/c1-9-3-6-14-13(7-9)17-15(18-14)11-4-5-12(16)10(2)8-11/h3-8H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,12,13,4,7,16,2,15,11,14,6,5,9,18,8,10/rA:18nCCCCCCCNCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11221 |
Area: | 425.175 |
Solvation: | -1.51716 |
Coulombic: | -32.5531 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 238.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.01 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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