5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid

C14H12ClNO3 — CID 118514707

IUPAC5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1c(C(=O)O)noc1-c1ccc(C2CC2)cc1Cl
InChIInChI=1S/C14H12ClNO3/c1-7-12(14(17)18)16-19-13(7)10-5-4-9(6-11(10)15)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,17,18)
InChIKeySQMMXIUYYWRDSF-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.88
Rot. Bonds3

About 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid

5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 118514707) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID118514707
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1c(C(=O)O)noc1-c1ccc(C2CC2)cc1Cl
InChIInChI=1S/C14H12ClNO3/c1-7-12(14(17)18)16-19-13(7)10-5-4-9(6-11(10)15)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,17,18)
InChIKeySQMMXIUYYWRDSF-UHFFFAOYSA-N
XLogP3.88
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid (CID 118514707) is 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid is Cc1c(C(=O)O)noc1-c1ccc(C2CC2)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is SQMMXIUYYWRDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-7-12(14(17)18)16-19-13(7)10-5-4-9(6-11(10)15)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,17,18).
What are the key properties of 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid?
5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-cyclopropylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 118514707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).