6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one

C17H24N2O2 — CID 107177554

IUPAC6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)oc2c1)C1CCCC1C
InChIInChI=1S/C17H24N2O2/c1-3-9-18-16(13-6-4-5-11(13)2)12-7-8-14-15(10-12)21-17(20)19-14/h7-8,10-11,13,16,18H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyGKAINWPEKXDCDY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.60
Rot. Bonds5

About 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one

6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 107177554) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID107177554
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2[nH]c(=O)oc2c1)C1CCCC1C
InChIInChI=1S/C17H24N2O2/c1-3-9-18-16(13-6-4-5-11(13)2)12-7-8-14-15(10-12)21-17(20)19-14/h7-8,10-11,13,16,18H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyGKAINWPEKXDCDY-UHFFFAOYSA-N
XLogP3.60
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one
CID 107182047
N-[1,3-dihydro-2-benzofuran-5-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177806
5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107177387
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107001061
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177899
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511
N-[(2-methylcyclopentyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107190433
6-[2-(cyclopentylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 82262244
6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62301111
6-(1-methylsulfanylethyl)-3H-1,3-benzoxazol-2-one
CID 126621176

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one (CID 107177554) is 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one is CCCNC(c1ccc2[nH]c(=O)oc2c1)C1CCCC1C.
What is the InChIKey of 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is GKAINWPEKXDCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-9-18-16(13-6-4-5-11(13)2)12-7-8-14-15(10-12)21-17(20)19-14/h7-8,10-11,13,16,18H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one?
6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 107177554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).