1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid

C26H18F3N3O3S — CID 143697854

IUPAC1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid
SMILESCc1oc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)nc1-c1ccc(Cn2ccc(C(=O)O)n2)cc1
InChIInChI=1S/C26H18F3N3O3S/c1-15-22(18-9-7-16(8-10-18)14-32-12-11-20(31-32)25(33)34)30-24(35-15)21-13-19(17-5-3-2-4-6-17)23(36-21)26(27,28)29/h2-13H,14H2,1H3,(H,33,34)
InChIKeyADPTXFAALSKORV-UHFFFAOYSA-N
MW509.51 g/mol
LogP7.01
Rot. Bonds6

About 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid

1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid (PubChem CID 143697854) has the molecular formula C26H18F3N3O3S and a molecular weight of 509.51 g/mol. Its IUPAC name is 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid
PubChem CID143697854
Molecular FormulaC26H18F3N3O3S
Molecular Weight509.51 g/mol
Exact Mass509.10
IUPAC Name1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid
SMILESCc1oc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)nc1-c1ccc(Cn2ccc(C(=O)O)n2)cc1
InChIInChI=1S/C26H18F3N3O3S/c1-15-22(18-9-7-16(8-10-18)14-32-12-11-20(31-32)25(33)34)30-24(35-15)21-13-19(17-5-3-2-4-6-17)23(36-21)26(27,28)29/h2-13H,14H2,1H3,(H,33,34)
InChIKeyADPTXFAALSKORV-UHFFFAOYSA-N
XLogP7.01
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.51
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid 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

Phenylpropanoic acid derivative, 17d
CID 10223583
Phenylpropanoic acid derivative, 17e
CID 44246274
Phenylpropanoic acid derivative, 17f
CID 44246275
2-[5-[5-(2,4-Difluorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44814813
2-[5-[5-(3,4-Difluorophenyl)sulfanyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
CID 44814815
3-[1-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-4-yl]propanoic acid
CID 11560998
3-[1-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-6-yl]propanoic acid
CID 11647624
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 30753462
4-[[3-(4-Fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-2-thiophen-3-yl-1,3-oxazole
CID 60240016
4-[[3-(4-Fluorophenyl)pyrazol-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 60240105
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide
CID 133789675
2-[1-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methyl]indazol-5-yl]acetic acid
CID 154007825

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid (CID 143697854) is 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid is Cc1oc(-c2cc(-c3ccccc3)c(C(F)(F)F)s2)nc1-c1ccc(Cn2ccc(C(=O)O)n2)cc1.
What is the InChIKey of 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid?
The InChIKey is ADPTXFAALSKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O3S/c1-15-22(18-9-7-16(8-10-18)14-32-12-11-20(31-32)25(33)34)30-24(35-15)21-13-19(17-5-3-2-4-6-17)23(36-21)26(27,28)29/h2-13H,14H2,1H3,(H,33,34).
What are the key properties of 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid?
1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid has a molecular weight of 509.51 g/mol, XLogP of 7.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-methyl-2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,3-oxazol-4-yl]phenyl]methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 143697854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).