N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C19H16N4O4 — CID 166190861

IUPACN-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCc1noc(-c2ccc(C)c(NC(=O)c3ccc4c(c3)NC(=O)CO4)c2)n1
InChIInChI=1S/C19H16N4O4/c1-10-3-4-13(19-20-11(2)23-27-19)8-14(10)22-18(25)12-5-6-16-15(7-12)21-17(24)9-26-16/h3-8H,9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXBTRRUISMADZAB-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.94
Rot. Bonds3

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

N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 166190861) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID166190861
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCc1noc(-c2ccc(C)c(NC(=O)c3ccc4c(c3)NC(=O)CO4)c2)n1
InChIInChI=1S/C19H16N4O4/c1-10-3-4-13(19-20-11(2)23-27-19)8-14(10)22-18(25)12-5-6-16-15(7-12)21-17(24)9-26-16/h3-8H,9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXBTRRUISMADZAB-UHFFFAOYSA-N
XLogP2.94
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17394634
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17417944
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55972511
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 166190861) is N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is Cc1noc(-c2ccc(C)c(NC(=O)c3ccc4c(c3)NC(=O)CO4)c2)n1.
What is the InChIKey of N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is XBTRRUISMADZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-10-3-4-13(19-20-11(2)23-27-19)8-14(10)22-18(25)12-5-6-16-15(7-12)21-17(24)9-26-16/h3-8H,9H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 166190861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).