Chemical ID: 4993460

Cc1ccc2c(c1)nc(o2)c3ccc(c(c3)C)N
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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