1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide

C20H30N2O2 — CID 167780345

IUPAC1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)C1(CC2CCCC2)CCCCC1
InChIInChI=1S/C20H30N2O2/c23-19(21-18-16-10-4-5-11-17(16)24-22-18)20(12-6-1-7-13-20)14-15-8-2-3-9-15/h15H,1-14H2,(H,21,22,23)
InChIKeyBGBSTTZQPPAMOJ-UHFFFAOYSA-N
MW330.47 g/mol
LogP5.02
Rot. Bonds4

About 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide

1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 167780345) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide
PubChem CID167780345
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1noc2c1CCCC2)C1(CC2CCCC2)CCCCC1
InChIInChI=1S/C20H30N2O2/c23-19(21-18-16-10-4-5-11-17(16)24-22-18)20(12-6-1-7-13-20)14-15-8-2-3-9-15/h15H,1-14H2,(H,21,22,23)
InChIKeyBGBSTTZQPPAMOJ-UHFFFAOYSA-N
XLogP5.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
CID 166001303
(9S)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide
CID 164638909
N-(5-butan-2-yl-4-pentyl-1,2-oxazol-3-yl)propanamide
CID 141544180
N-(4-tert-butyl-5-pentyl-1,2-oxazol-3-yl)-2,2-dimethylbutanamide
CID 141544181
1-Methyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea
CID 85844775
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-3-methyl-4-oxocyclohexane-1-carboxamide
CID 136556745
9-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 136564417
7-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-azaspiro[3.4]octane-6-carboxamide
CID 136564425
2-(2,9-dioxaspiro[5.5]undecan-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
CID 136569315
2-(5-oxaspiro[3.4]octan-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)acetamide
CID 136569316
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-6-oxaspiro[4.5]decane-9-carboxamide
CID 136569317
N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
CID 139019044

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide (CID 167780345) is 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide is O=C(Nc1noc2c1CCCC2)C1(CC2CCCC2)CCCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is BGBSTTZQPPAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-19(21-18-16-10-4-5-11-17(16)24-22-18)20(12-6-1-7-13-20)14-15-8-2-3-9-15/h15H,1-14H2,(H,21,22,23).
What are the key properties of 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide?
1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 330.47 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 1-(cyclopentylmethyl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 167780345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).