4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

C14H15NO3 — CID 82085722

IUPAC4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1c(C(=O)O)noc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H15NO3/c1-8(2)10-4-6-11(7-5-10)13-9(3)12(14(16)17)15-18-13/h4-8H,1-3H3,(H,16,17)
InChIKeyJXOQLWAIGPGENU-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.47
Rot. Bonds3

About 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 82085722) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID82085722
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1c(C(=O)O)noc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H15NO3/c1-8(2)10-4-6-11(7-5-10)13-9(3)12(14(16)17)15-18-13/h4-8H,1-3H3,(H,16,17)
InChIKeyJXOQLWAIGPGENU-UHFFFAOYSA-N
XLogP3.47
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 23137152
3-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128384
4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846599
5-(2,4-dimethylphenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
CID 82082017
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
4-bromo-5-(4-ethylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 116858090
5-chloro-2-(4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 106511897
(5S)-5-methyl-3-(4-propan-2-ylphenyl)-4H-1,2-oxazole-5-carboxylic acid
CID 95658934
5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazole-4-carbonyl chloride
CID 13051603
4-amino-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82389839
4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 67121077

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (CID 82085722) is 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1c(C(=O)O)noc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is JXOQLWAIGPGENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8(2)10-4-6-11(7-5-10)13-9(3)12(14(16)17)15-18-13/h4-8H,1-3H3,(H,16,17).
What are the key properties of 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82085722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).