3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide

C19H16FN3O4 — CID 46979789

IUPAC3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC(c2ccccc2F)=NO1
InChIInChI=1S/C19H16FN3O4/c1-19(9-15(23-27-19)12-4-2-3-5-13(12)20)18(25)21-11-6-7-14-16(8-11)26-10-17(24)22-14/h2-8H,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyGDWIHXMGGHDZDX-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.68
Rot. Bonds3

About 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 46979789) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide
PubChem CID46979789
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC(c2ccccc2F)=NO1
InChIInChI=1S/C19H16FN3O4/c1-19(9-15(23-27-19)12-4-2-3-5-13(12)20)18(25)21-11-6-7-14-16(8-11)26-10-17(24)22-14/h2-8H,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyGDWIHXMGGHDZDX-UHFFFAOYSA-N
XLogP2.68
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
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(5S)-3-(2-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51497722
1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide
CID 71920872
1-(2-methyl-1-phenylpropyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893280
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893226
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51241340
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465267
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893273
trans-(1R,3R)-2,2-dimethyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95391684
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide (CID 46979789) is 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC(c2ccccc2F)=NO1.
What is the InChIKey of 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is GDWIHXMGGHDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c1-19(9-15(23-27-19)12-4-2-3-5-13(12)20)18(25)21-11-6-7-14-16(8-11)26-10-17(24)22-14/h2-8H,9-10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46979789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).