1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide

C18H19N3O3 — CID 75448652

IUPAC1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cccn3C3CCCC3)ccc2N1
InChIInChI=1S/C18H19N3O3/c22-17-11-24-16-10-12(7-8-14(16)20-17)19-18(23)15-6-3-9-21(15)13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,19,23)(H,20,22)
InChIKeyWUWAIJLSPVNERH-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.19
Rot. Bonds3

About 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide

1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide (PubChem CID 75448652) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide
PubChem CID75448652
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cccn3C3CCCC3)ccc2N1
InChIInChI=1S/C18H19N3O3/c22-17-11-24-16-10-12(7-8-14(16)20-17)19-18(23)15-6-3-9-21(15)13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,19,23)(H,20,22)
InChIKeyWUWAIJLSPVNERH-UHFFFAOYSA-N
XLogP3.19
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopentylethyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893386
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N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
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N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
CID 110226362
(1R)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125145379
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
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N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 11690965
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-1-carboxamide
CID 97456253
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 121239655

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide (CID 75448652) is 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide is O=C1COc2cc(NC(=O)c3cccn3C3CCCC3)ccc2N1.
What is the InChIKey of 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide?
The InChIKey is WUWAIJLSPVNERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17-11-24-16-10-12(7-8-14(16)20-17)19-18(23)15-6-3-9-21(15)13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,19,23)(H,20,22).
What are the key properties of 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide?
1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 75448652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).