[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C14H13FN2O4 — CID 18199701

IUPAC[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2C)on1
InChIInChI=1S/C14H13FN2O4/c1-8-3-4-10(15)6-11(8)16-13(18)7-20-14(19)12-5-9(2)17-21-12/h3-6H,7H2,1-2H3,(H,16,18)
InChIKeyUQCWUIIUQBGPIZ-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.23
Rot. Bonds4

About [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 18199701) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID18199701
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2C)on1
InChIInChI=1S/C14H13FN2O4/c1-8-3-4-10(15)6-11(8)16-13(18)7-20-14(19)12-5-9(2)17-21-12/h3-6H,7H2,1-2H3,(H,16,18)
InChIKeyUQCWUIIUQBGPIZ-UHFFFAOYSA-N
XLogP2.23
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
CID 2510209
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 18123459
[2-(3,5-dichloroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737586
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 18076313
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507285
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737610
2-(4-ethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 804157
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571518
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18195720
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
methyl 3-[[2-(5-fluoro-2-methylbenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 17392365
[2-(2,4-difluoroanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2561367

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 18199701) is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2C)on1.
What is the InChIKey of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is UQCWUIIUQBGPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-8-3-4-10(15)6-11(8)16-13(18)7-20-14(19)12-5-9(2)17-21-12/h3-6H,7H2,1-2H3,(H,16,18).
What are the key properties of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 292.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 18199701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).