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

C20H17N3O4 — CID 9145445

IUPAC5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C20H17N3O4/c1-11-17(18(23-27-11)13-6-4-3-5-7-13)20(25)21-14-8-9-16-15(10-14)22-19(24)12(2)26-16/h3-10,12H,1-2H3,(H,21,25)(H,22,24)/t12-/m1/s1
InChIKeyCOTPZLXRUTZZNS-GFCCVEGCSA-N
MW363.37 g/mol
LogP3.62
Rot. Bonds3

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

5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 9145445) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID9145445
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
InChIInChI=1S/C20H17N3O4/c1-11-17(18(23-27-11)13-6-4-3-5-7-13)20(25)21-14-8-9-16-15(10-14)22-19(24)12(2)26-16/h3-10,12H,1-2H3,(H,21,25)(H,22,24)/t12-/m1/s1
InChIKeyCOTPZLXRUTZZNS-GFCCVEGCSA-N
XLogP3.62
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
5-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-4-carboxylic acid
CID 82371313
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 41274144
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
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
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 45155060
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
3,5-diethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-4-carboxamide
CID 51594198
5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 41251415
1-benzyl-3,5-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-4-carboxamide
CID 84938380

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 9145445) is 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2.
What is the InChIKey of 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is COTPZLXRUTZZNS-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-11-17(18(23-27-11)13-6-4-3-5-7-13)20(25)21-14-8-9-16-15(10-14)22-19(24)12(2)26-16/h3-10,12H,1-2H3,(H,21,25)(H,22,24)/t12-/m1/s1.
What are the key properties of 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9145445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).