N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C14H16N2O3 — CID 60655442

IUPACN-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC3CCCC3)cc2N1
InChIInChI=1S/C14H16N2O3/c17-13-8-19-12-6-5-9(7-11(12)16-13)14(18)15-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,15,18)(H,16,17)
InChIKeyCUKOKEMVELBYGN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.69
Rot. Bonds2

About N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 60655442) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID60655442
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC3CCCC3)cc2N1
InChIInChI=1S/C14H16N2O3/c17-13-8-19-12-6-5-9(7-11(12)16-13)14(18)15-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,15,18)(H,16,17)
InChIKeyCUKOKEMVELBYGN-UHFFFAOYSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 115881758
N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344917
N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 120574862
N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120574861
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 114631273
N-[(1R,2R)-2-hydroxycyclohexyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 104927714
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 51101453
3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 53362064
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 119555122
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 60655442) is N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)NC3CCCC3)cc2N1.
What is the InChIKey of N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is CUKOKEMVELBYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-8-19-12-6-5-9(7-11(12)16-13)14(18)15-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,15,18)(H,16,17).
What are the key properties of N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 60655442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).