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

C25H23N3O3 — CID 66578104

IUPAC1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1cnn(Cc2c(C)noc2-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1
InChIInChI=1S/C25H23N3O3/c1-16-13-26-28(14-16)15-22-17(2)27-31-23(22)20-5-3-18(4-6-20)19-7-9-21(10-8-19)25(11-12-25)24(29)30/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,30)
InChIKeyQFPCCJSWXIQWSQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.99
Rot. Bonds6

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

1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 66578104) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID66578104
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1cnn(Cc2c(C)noc2-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1
InChIInChI=1S/C25H23N3O3/c1-16-13-26-28(14-16)15-22-17(2)27-31-23(22)20-5-3-18(4-6-20)19-7-9-21(10-8-19)25(11-12-25)24(29)30/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,30)
InChIKeyQFPCCJSWXIQWSQ-UHFFFAOYSA-N
XLogP4.99
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[3-methyl-4-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51348023
1-[4-[4-[3-methyl-4-(oxiran-2-ylmethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 141296072
1-[4-[4-[3-methyl-4-[(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51348024
1-[4-[4-[4-[(cyclopropylmethylamino)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578438
1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 52915184
1-[4-[4-[3-methyl-4-(1-phenylethoxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66582078
1-[4-[4-[3-methyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 158372225
1-[4-[4-[3-methyl-4-(2-phenylpropoxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51352396
1-[4-[4-[4-[(5-methoxy-3-pyridinyl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 158245343
1-[4-[4-[3-methyl-4-(1-phenylpropan-2-ylsulfanylmethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 118517897
1-[4-[4-[4-(4-hydroxy-2-methyl-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66577383
1-[4-[4-[4-[(2-hydroxy-2-phenylpropoxy)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 51352437

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 66578104) is 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1cnn(Cc2c(C)noc2-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1.
What is the InChIKey of 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is QFPCCJSWXIQWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-13-26-28(14-16)15-22-17(2)27-31-23(22)20-5-3-18(4-6-20)19-7-9-21(10-8-19)25(11-12-25)24(29)30/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,30).
What are the key properties of 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 413.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66578104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).