N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide

C15H19N3O3 — CID 110226362

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCC(=O)N2)N1CCCC1
InChIInChI=1S/C15H19N3O3/c1-10(18-6-2-3-7-18)15(20)16-11-4-5-12-13(8-11)21-9-14(19)17-12/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyBIPGMGRTUHFZOC-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.44
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide

N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 110226362) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
PubChem CID110226362
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCC(=O)N2)N1CCCC1
InChIInChI=1S/C15H19N3O3/c1-10(18-6-2-3-7-18)15(20)16-11-4-5-12-13(8-11)21-9-14(19)17-12/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyBIPGMGRTUHFZOC-UHFFFAOYSA-N
XLogP1.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
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2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
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2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 46978510
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
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1-(3-methylbutyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
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N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-piperidin-1-ylpropanamide
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N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
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(2S)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
CID 126443130
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
1-(2-methyl-1-phenylpropyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893280
1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide (CID 110226362) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide is CC(C(=O)Nc1ccc2c(c1)OCC(=O)N2)N1CCCC1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is BIPGMGRTUHFZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(18-6-2-3-7-18)15(20)16-11-4-5-12-13(8-11)21-9-14(19)17-12/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 289.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 110226362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).