2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine

C18H26N2O — CID 107448361

IUPAC2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC3CCCC(C(C)C)C3)ccc2o1
InChIInChI=1S/C18H26N2O/c1-4-18-20-16-11-15(8-9-17(16)21-18)19-14-7-5-6-13(10-14)12(2)3/h8-9,11-14,19H,4-7,10H2,1-3H3
InChIKeyMJHCMYSZABTECD-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.02
Rot. Bonds4

About 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine

2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine (PubChem CID 107448361) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine
PubChem CID107448361
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC3CCCC(C(C)C)C3)ccc2o1
InChIInChI=1S/C18H26N2O/c1-4-18-20-16-11-15(8-9-17(16)21-18)19-14-7-5-6-13(10-14)12(2)3/h8-9,11-14,19H,4-7,10H2,1-3H3
InChIKeyMJHCMYSZABTECD-UHFFFAOYSA-N
XLogP5.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine with MolForge

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Related Compounds

2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine
CID 65080430
2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
CID 65081910
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
CID 107427997
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
N-(3-methoxycyclohexyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106871912
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
2-ethyl-N-(2,4,4-trimethylcyclohexyl)-1,3-benzoxazol-5-amine
CID 81303160
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
2-(methoxymethyl)-N-(thian-3-yl)-1,3-benzoxazol-5-amine
CID 86787639
2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
CID 54866635
3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
CID 65337571

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine (CID 107448361) is 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine is CCc1nc2cc(NC3CCCC(C(C)C)C3)ccc2o1.
What is the InChIKey of 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine?
The InChIKey is MJHCMYSZABTECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-18-20-16-11-15(8-9-17(16)21-18)19-14-7-5-6-13(10-14)12(2)3/h8-9,11-14,19H,4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine?
2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-propan-2-ylcyclohexyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 107448361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).