3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one

C15H20N2O2 — CID 55087544

IUPAC3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCCNC1CCCC1
InChIInChI=1S/C15H20N2O2/c18-15-17(13-8-3-4-9-14(13)19-15)11-5-10-16-12-6-1-2-7-12/h3-4,8-9,12,16H,1-2,5-7,10-11H2
InChIKeyMDAHZBVOZJVADB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.52
Rot. Bonds5

About 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one

3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one (PubChem CID 55087544) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
PubChem CID55087544
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCCNC1CCCC1
InChIInChI=1S/C15H20N2O2/c18-15-17(13-8-3-4-9-14(13)19-15)11-5-10-16-12-6-1-2-7-12/h3-4,8-9,12,16H,1-2,5-7,10-11H2
InChIKeyMDAHZBVOZJVADB-UHFFFAOYSA-N
XLogP2.52
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-methoxyethylamino)propyl]-1,3-benzoxazol-2-one
CID 62564028
3-(2-amino-2-cyclopentylethyl)-1,3-benzoxazol-2-one
CID 104747231
3-[4-[4-(cyclopropylmethyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 59629994
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895
3-[5-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperazin-1-yl]pentyl]-1,3-benzoxazol-2-one
CID 58511876
3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-1,3-benzoxazol-2-one
CID 18170258
3-[2-(oxolan-3-ylmethylamino)ethyl]-1,3-benzoxazol-2-one
CID 55087543
3-[2-(butylamino)ethyl]-1,3-benzoxazol-2-one
CID 60765754
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
CID 61387611
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55802709
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 111429592
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one (CID 55087544) is 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCCNC1CCCC1.
What is the InChIKey of 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one?
The InChIKey is MDAHZBVOZJVADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15-17(13-8-3-4-9-14(13)19-15)11-5-10-16-12-6-1-2-7-12/h3-4,8-9,12,16H,1-2,5-7,10-11H2.
What are the key properties of 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one?
3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylamino)propyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 55087544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).