1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid

C15H15NO3 — CID 102543853

IUPAC1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(-c2cc(C3(C(=O)O)CCC3)no2)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)12-9-13(16-19-12)15(14(17)18)7-2-8-15/h3-6,9H,2,7-8H2,1H3,(H,17,18)
InChIKeyZJQZZZUHCXPSJM-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.16
Rot. Bonds3

About 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid

1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid (PubChem CID 102543853) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid
PubChem CID102543853
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(-c2cc(C3(C(=O)O)CCC3)no2)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)12-9-13(16-19-12)15(14(17)18)7-2-8-15/h3-6,9H,2,7-8H2,1H3,(H,17,18)
InChIKeyZJQZZZUHCXPSJM-UHFFFAOYSA-N
XLogP3.16
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 163598398
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N,N-dimethylcyclopropane-1-carboxamide
CID 90504280
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide
CID 90504315
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504433
[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90504521
4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid
CID 96776388
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504286
[1-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]cyclobutyl]methanol
CID 102543907
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504070

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid (CID 102543853) is 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid is Cc1ccc(-c2cc(C3(C(=O)O)CCC3)no2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid?
The InChIKey is ZJQZZZUHCXPSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)12-9-13(16-19-12)15(14(17)18)7-2-8-15/h3-6,9H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid?
1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 102543853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).