4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one

C15H19NO3 — CID 104753134

IUPAC4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CC(O)C1CCCC1
InChIInChI=1S/C15H19NO3/c17-13(11-5-1-2-6-11)9-16-12-7-3-4-8-14(12)19-10-15(16)18/h3-4,7-8,11,13,17H,1-2,5-6,9-10H2
InChIKeyHVYUKDIFAASBEJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.96
Rot. Bonds3

About 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one

4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one (PubChem CID 104753134) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one
PubChem CID104753134
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccccc2N1CC(O)C1CCCC1
InChIInChI=1S/C15H19NO3/c17-13(11-5-1-2-6-11)9-16-12-7-3-4-8-14(12)19-10-15(16)18/h3-4,7-8,11,13,17H,1-2,5-6,9-10H2
InChIKeyHVYUKDIFAASBEJ-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 648822
4-(3-amino-2-ethoxypropyl)-1,4-benzoxazin-3-one
CID 63072172
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9463774
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
N-[(1S,2R)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 6938468
4-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1,4-benzoxazin-3-one
CID 103366524
4-(2-piperidin-2-ylethyl)-1,4-benzoxazin-3-one
CID 61348095
4-[3-[(1R,5S)-3-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-1,4-benzoxazin-3-one
CID 68910962
N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 38857092
3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
CID 119389632
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
4-[(2R)-2-hydroxy-3-[(5S)-3-pentyl-8-bicyclo[3.2.1]octanyl]propyl]-1,4-benzoxazin-3-one
CID 68912783

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one (CID 104753134) is 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one is O=C1COc2ccccc2N1CC(O)C1CCCC1.
What is the InChIKey of 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one?
The InChIKey is HVYUKDIFAASBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13(11-5-1-2-6-11)9-16-12-7-3-4-8-14(12)19-10-15(16)18/h3-4,7-8,11,13,17H,1-2,5-6,9-10H2.
What are the key properties of 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one?
4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one has a molecular weight of 261.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 104753134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).