2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine

C18H26N2O — CID 81303160

IUPAC2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC3CCC(C)(C)CC3C)ccc2o1
InChIInChI=1S/C18H26N2O/c1-5-17-20-15-10-13(6-7-16(15)21-17)19-14-8-9-18(3,4)11-12(14)2/h6-7,10,12,14,19H,5,8-9,11H2,1-4H3
InChIKeyGLKWJXPRVUHEEQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.02
Rot. Bonds3

About 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine

2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine (PubChem CID 81303160) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine
PubChem CID81303160
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC3CCC(C)(C)CC3C)ccc2o1
InChIInChI=1S/C18H26N2O/c1-5-17-20-15-10-13(6-7-16(15)21-17)19-14-8-9-18(3,4)11-12(14)2/h6-7,10,12,14,19H,5,8-9,11H2,1-4H3
InChIKeyGLKWJXPRVUHEEQ-UHFFFAOYSA-N
XLogP5.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
BI 99179
CID 51346964
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
L 696040
CID 131887
2-(1-Naphthyl)-1,3-benzoxazol-5-amine
CID 650480
2-(4-Ethylphenyl)-1,3-benzoxazol-5-amine
CID 721074
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443
2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454408
2(1H)-Pyridinone, 5-ethyl-3-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454411
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine (CID 81303160) is 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine is CCc1nc2cc(NC3CCC(C)(C)CC3C)ccc2o1.
What is the InChIKey of 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine?
The InChIKey is GLKWJXPRVUHEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-17-20-15-10-13(6-7-16(15)21-17)19-14-8-9-18(3,4)11-12(14)2/h6-7,10,12,14,19H,5,8-9,11H2,1-4H3.
What are the key properties of 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine?
2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 81303160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).