3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide

C17H19N3O4 — CID 51594198

IUPAC3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C17H19N3O4/c1-4-11-15(13(5-2)24-20-11)17(22)18-10-6-7-14-12(8-10)19-16(21)9(3)23-14/h6-9H,4-5H2,1-3H3,(H,18,22)(H,19,21)/t9-/m1/s1
InChIKeyOHYWBWIRFDXTNQ-SECBINFHSA-N
MW329.36 g/mol
LogP2.77
Rot. Bonds4

About 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide

3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide (PubChem CID 51594198) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide
PubChem CID51594198
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(CC)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C17H19N3O4/c1-4-11-15(13(5-2)24-20-11)17(22)18-10-6-7-14-12(8-10)19-16(21)9(3)23-14/h6-9H,4-5H2,1-3H3,(H,18,22)(H,19,21)/t9-/m1/s1
InChIKeyOHYWBWIRFDXTNQ-SECBINFHSA-N
XLogP2.77
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide (CID 51594198) is 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide is CCc1noc(CC)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2.
What is the InChIKey of 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is OHYWBWIRFDXTNQ-SECBINFHSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-11-15(13(5-2)24-20-11)17(22)18-10-6-7-14-12(8-10)19-16(21)9(3)23-14/h6-9H,4-5H2,1-3H3,(H,18,22)(H,19,21)/t9-/m1/s1.
What are the key properties of 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide?
3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51594198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).