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

C10H15NO3 — CID 165470864

IUPAC5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid
SMILESCCC(C)Cc1noc(C)c1C(=O)O
InChIInChI=1S/C10H15NO3/c1-4-6(2)5-8-9(10(12)13)7(3)14-11-8/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyKIHUDRFNGGHHFN-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.27
Rot. Bonds4

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

5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 165470864) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid
PubChem CID165470864
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid
SMILESCCC(C)Cc1noc(C)c1C(=O)O
InChIInChI=1S/C10H15NO3/c1-4-6(2)5-8-9(10(12)13)7(3)14-11-8/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyKIHUDRFNGGHHFN-UHFFFAOYSA-N
XLogP2.27
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
3-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10398313
3-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 165465449
3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10798301
3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid
CID 100983614
N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60831703
3-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 70609031
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034
(2S)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]pentanedioic acid
CID 61151729
3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 51088312
3-ethyl-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43573763

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid (CID 165470864) is 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid is CCC(C)Cc1noc(C)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is KIHUDRFNGGHHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-6(2)5-8-9(10(12)13)7(3)14-11-8/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid?
5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylbutyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165470864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).