N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide

C14H16N2O4 — CID 126797223

IUPACN-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide
SMILESO=C1COc2c(cccc2NC(=O)C2CCCCO2)N1
InChIInChI=1S/C14H16N2O4/c17-12-8-20-13-9(15-12)4-3-5-10(13)16-14(18)11-6-1-2-7-19-11/h3-5,11H,1-2,6-8H2,(H,15,17)(H,16,18)
InChIKeyQDVQKDCGTNZGNE-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.53
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide (PubChem CID 126797223) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide
PubChem CID126797223
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide
SMILESO=C1COc2c(cccc2NC(=O)C2CCCCO2)N1
InChIInChI=1S/C14H16N2O4/c17-12-8-20-13-9(15-12)4-3-5-10(13)16-14(18)11-6-1-2-7-19-11/h3-5,11H,1-2,6-8H2,(H,15,17)(H,16,18)
InChIKeyQDVQKDCGTNZGNE-UHFFFAOYSA-N
XLogP1.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide
CID 138043321
N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
N-(2-bromo-3-pyridinyl)oxane-2-carboxamide
CID 103822374
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide (CID 126797223) is N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide is O=C1COc2c(cccc2NC(=O)C2CCCCO2)N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide?
The InChIKey is QDVQKDCGTNZGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12-8-20-13-9(15-12)4-3-5-10(13)16-14(18)11-6-1-2-7-19-11/h3-5,11H,1-2,6-8H2,(H,15,17)(H,16,18).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.53, 2 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-8-yl)oxane-2-carboxamide is sourced from PubChem (CID 126797223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).