6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one

C17H24N2O2 — CID 62273475

IUPAC6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(N)CCC3CCCCC3)ccc21
InChIInChI=1S/C17H24N2O2/c1-19-15-10-8-13(11-16(15)21-17(19)20)14(18)9-7-12-5-3-2-4-6-12/h8,10-12,14H,2-7,9,18H2,1H3
InChIKeyAQLAJUJHHNWCST-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.49
Rot. Bonds4

About 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one

6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 62273475) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID62273475
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(C(N)CCC3CCCCC3)ccc21
InChIInChI=1S/C17H24N2O2/c1-19-15-10-8-13(11-16(15)21-17(19)20)14(18)9-7-12-5-3-2-4-6-12/h8,10-12,14H,2-7,9,18H2,1H3
InChIKeyAQLAJUJHHNWCST-UHFFFAOYSA-N
XLogP3.49
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-aminononyl)-3-methyl-1,3-benzoxazol-2-one
CID 65447465
4-amino-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanenitrile
CID 116940059
6-(1-amino-2-pyrrolidin-2-ylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116936028
6-[bromo(cyclooctyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 65020555
5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299908
2-[2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 55054065
6-(1-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 14751624
3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 43625227
6-(1-hydroxy-2-propylpentyl)-3-methyl-1,3-benzoxazol-2-one
CID 82987811
6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
6-[(2,2-dimethylcyclopropyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 107002512

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one (CID 62273475) is 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C(N)CCC3CCCCC3)ccc21.
What is the InChIKey of 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is AQLAJUJHHNWCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19-15-10-8-13(11-16(15)21-17(19)20)14(18)9-7-12-5-3-2-4-6-12/h8,10-12,14H,2-7,9,18H2,1H3.
What are the key properties of 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one?
6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62273475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).