2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid

C16H17FN2O4 — CID 166284763

IUPAC2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid
SMILESCc1noc(C(C)C)c1NC(=O)Cc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C16H17FN2O4/c1-8(2)15-14(9(3)19-23-15)18-13(20)7-10-4-5-11(16(21)22)12(17)6-10/h4-6,8H,7H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyZVDPNEJPAJMASL-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.12
Rot. Bonds5

About 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid

2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid (PubChem CID 166284763) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid
PubChem CID166284763
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid
SMILESCc1noc(C(C)C)c1NC(=O)Cc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C16H17FN2O4/c1-8(2)15-14(9(3)19-23-15)18-13(20)7-10-4-5-11(16(21)22)12(17)6-10/h4-6,8H,7H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyZVDPNEJPAJMASL-UHFFFAOYSA-N
XLogP3.12
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid with MolForge

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Related Compounds

2-fluoro-4-[2-[1-(4-methylpyrimidin-2-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 166284679
2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
CID 163291974
2-fluoro-4-(propan-2-yloxymethyl)benzoic acid
CID 106698299
2-(3,4-difluorophenyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11574057
2-(4-fluorophenyl)-N-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]-2-pyridinyl]acetamide
CID 44597113
2-fluoro-4-(propan-2-ylsulfinylmethyl)benzoic acid
CID 106700633
4-[[[3-(butan-2-ylamino)-3-oxopropyl]amino]methyl]-2-fluorobenzoic acid
CID 106699780
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic acid
CID 113319755
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 86787189
2-fluoro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzoic acid
CID 106700211
2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid
CID 104601623
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-fluorobenzoic acid
CID 103847489

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid (CID 166284763) is 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid is Cc1noc(C(C)C)c1NC(=O)Cc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is ZVDPNEJPAJMASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-8(2)15-14(9(3)19-23-15)18-13(20)7-10-4-5-11(16(21)22)12(17)6-10/h4-6,8H,7H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid?
2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 320.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 166284763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).