2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid

C12H10FNO3 — CID 82291025

IUPAC2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(Cc2ccc(F)cc2)oc1C(=O)O
InChIInChI=1S/C12H10FNO3/c1-7-11(12(15)16)17-10(14-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyYNOWKGRSGVJQPP-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.41
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid

2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid (PubChem CID 82291025) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid
PubChem CID82291025
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(Cc2ccc(F)cc2)oc1C(=O)O
InChIInChI=1S/C12H10FNO3/c1-7-11(12(15)16)17-10(14-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16)
InChIKeyYNOWKGRSGVJQPP-UHFFFAOYSA-N
XLogP2.41
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-methyl-2-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxylate
CID 59823769
2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62745063
2-[(4-fluorophenyl)methyl]-1,3-benzoxazole-7-carboxylic acid
CID 81345728
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431523
2-[[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-methylamino]acetic acid
CID 167899340
3-[(4-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 82296233
4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 62934630
2-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62097622
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
1-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]ethanone
CID 66790029
methyl 5-[5-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazol-4-yl]-4-hydroxy-2,5-dioxopent-3-enoate
CID 66789307
methyl 4-[3-[(4-fluorophenyl)methyl]-4,5-dimethylfuran-2-yl]-4-hydroxy-2-oxobut-3-enoate
CID 67426120

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid (CID 82291025) is 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid is Cc1nc(Cc2ccc(F)cc2)oc1C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is YNOWKGRSGVJQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-7-11(12(15)16)17-10(14-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid?
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82291025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).