5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid

C8H11NO3 — CID 82412941

IUPAC5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
SMILESCC(C)Cc1cnc(C(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-5(2)3-6-4-9-7(12-6)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyVNIWJNSMWWHRCU-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.57
Rot. Bonds3

About 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid

5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 82412941) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
PubChem CID82412941
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
SMILESCC(C)Cc1cnc(C(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-5(2)3-6-4-9-7(12-6)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyVNIWJNSMWWHRCU-UHFFFAOYSA-N
XLogP1.57
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972
5-methyl-4-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
CID 105440469
5-(2-methylpropyl)pyrimidine-2-carboxylic acid
CID 84732267
5-(4-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049028
5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-2-carboxylic acid
CID 117192357
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960
lithium 5-(hydroxymethyl)-1,3-oxazole-2-carboxylate
CID 178200459
(2S)-2-[[2-methyl-5-(2-methylpropyl)furan-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 7044303
[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone
CID 58159043
3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
CID 110835099
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
2-(1-amino-3-methylbutyl)-1,3-oxazole-5-carboxylic acid
CID 83853063

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid (CID 82412941) is 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid is CC(C)Cc1cnc(C(=O)O)o1.
What is the InChIKey of 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is VNIWJNSMWWHRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(2)3-6-4-9-7(12-6)8(10)11/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid?
5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 82412941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).