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

C20H17NO3 — CID 163598398

IUPAC1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)on1
InChIInChI=1S/C20H17NO3/c1-13-12-18(24-21-13)16-4-2-14(3-5-16)15-6-8-17(9-7-15)20(10-11-20)19(22)23/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyGVLTXWCRPWJICJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.43
Rot. Bonds4

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

1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 163598398) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID163598398
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)on1
InChIInChI=1S/C20H17NO3/c1-13-12-18(24-21-13)16-4-2-14(3-5-16)15-6-8-17(9-7-15)20(10-11-20)19(22)23/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyGVLTXWCRPWJICJ-UHFFFAOYSA-N
XLogP4.43
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid
CID 102543853
1-[4-[4-[3-methyl-4-(oxiran-2-ylmethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 141296072
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[4-[4-[3-methyl-4-(4-phenylbutanoyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66577258
1-[4-[4-[4-(ethoxycarbonylamino)-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66964442
ethyl 2-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]acetate
CID 141266104
1-[4-[4-[4-[(cyclopropylmethylamino)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578438
1-[4-[4-[3-methyl-4-[(2-phenoxyacetyl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578302
1-[4-[4-[3-methyl-4-[3-methyl-4-(4-propan-2-ylphenyl)but-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578739
1-[4-[4-[3-methyl-4-[(E)-3-methyl-4-(4-propan-2-ylphenyl)but-1-enyl]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66578738
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 39226104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 163598398) is 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid is Cc1cc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)on1.
What is the InChIKey of 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is GVLTXWCRPWJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-12-18(24-21-13)16-4-2-14(3-5-16)15-6-8-17(9-7-15)20(10-11-20)19(22)23/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 163598398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).