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

C17H19N3O4 — CID 9146698

IUPAC3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2
InChIInChI=1S/C17H19N3O4/c1-8(2)15-14(9(3)20-24-15)17(22)18-11-5-6-13-12(7-11)19-16(21)10(4)23-13/h5-8,10H,1-4H3,(H,18,22)(H,19,21)/t10-/m0/s1
InChIKeyQPLRBXVAWHKWIF-JTQLQIEISA-N
MW329.36 g/mol
LogP3.08
Rot. Bonds3

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

3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 9146698) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID9146698
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2
InChIInChI=1S/C17H19N3O4/c1-8(2)15-14(9(3)20-24-15)17(22)18-11-5-6-13-12(7-11)19-16(21)10(4)23-13/h5-8,10H,1-4H3,(H,18,22)(H,19,21)/t10-/m0/s1
InChIKeyQPLRBXVAWHKWIF-JTQLQIEISA-N
XLogP3.08
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 9145445
3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide
CID 51594198
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 45155060
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 46616611
5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 18090671
5-acetyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiophene-2-carboxamide
CID 9147957
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 9146698) is 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2.
What is the InChIKey of 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is QPLRBXVAWHKWIF-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N3O4/c1-8(2)15-14(9(3)20-24-15)17(22)18-11-5-6-13-12(7-11)19-16(21)10(4)23-13/h5-8,10H,1-4H3,(H,18,22)(H,19,21)/t10-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9146698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).