1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C32H24F3N3O3 — CID 51347569

IUPAC1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Nc1cncc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C32H24F3N3O3/c1-19-28(37-27-16-24(17-36-18-27)22-8-12-26(13-9-22)32(33,34)35)29(41-38-19)23-4-2-20(3-5-23)21-6-10-25(11-7-21)31(14-15-31)30(39)40/h2-13,16-18,37H,14-15H2,1H3,(H,39,40)
InChIKeyNXOVKZYYXPPBFC-UHFFFAOYSA-N
MW555.56 g/mol
LogP8.26
Rot. Bonds7

About 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 51347569) has the molecular formula C32H24F3N3O3 and a molecular weight of 555.56 g/mol. Its IUPAC name is 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID51347569
Molecular FormulaC32H24F3N3O3
Molecular Weight555.56 g/mol
Exact Mass555.18
IUPAC Name1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Nc1cncc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C32H24F3N3O3/c1-19-28(37-27-16-24(17-36-18-27)22-8-12-26(13-9-22)32(33,34)35)29(41-38-19)23-4-2-20(3-5-23)21-6-10-25(11-7-21)31(14-15-31)30(39)40/h2-13,16-18,37H,14-15H2,1H3,(H,39,40)
InChIKeyNXOVKZYYXPPBFC-UHFFFAOYSA-N
XLogP8.26
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.56
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-4-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]aniline
CID 177648474
N-(6-methyl-3-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602340
2-[6-[4-[4-[1-(2-Fluorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]-3-pyridinyl]-2-methylpropanoic acid
CID 50923255
2-[4-[5-[4-[1-(2-Fluorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]-2-pyridinyl]phenyl]acetic acid
CID 50924569
1-[4-[4-[3-Methyl-4-[[6-[2-(trifluoromethyl)phenyl]pyridin-2-yl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51347125
1-[4-[4-[3-Methyl-4-[[6-[3-(trifluoromethyl)phenyl]pyridin-2-yl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51348896
1-[4-[4-[4-[[6-[(2-Fluorophenyl)methyl]-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51349162
1-[4-[4-[4-[[6-[(3-Fluorophenyl)methyl]-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51349163
1-[4-[4-[4-[[6-[(4-Fluorophenyl)methyl]-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51349164
1-[4-[4-[4-[[6-(3-Fluorophenyl)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51349302
1-[4-[4-[4-[[6-(2-Fluorophenyl)-2-pyridinyl]amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51349304
1-[4-[4-[4-[4-(3-Fluorophenyl)butan-2-ylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51351856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 51347569) is 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1Nc1cncc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is NXOVKZYYXPPBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N3O3/c1-19-28(37-27-16-24(17-36-18-27)22-8-12-26(13-9-22)32(33,34)35)29(41-38-19)23-4-2-20(3-5-23)21-6-10-25(11-7-21)31(14-15-31)30(39)40/h2-13,16-18,37H,14-15H2,1H3,(H,39,40).
What are the key properties of 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 555.56 g/mol, XLogP of 8.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51347569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).