2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid

C8H13NO3 — CID 134338083

IUPAC2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid
SMILESCCC1(CC(=O)O)CC(C)=NO1
InChIInChI=1S/C8H13NO3/c1-3-8(5-7(10)11)4-6(2)9-12-8/h3-5H2,1-2H3,(H,10,11)
InChIKeyCXOVGZZYPKCQJG-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.41
Rot. Bonds3

About 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid

2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid (PubChem CID 134338083) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid
PubChem CID134338083
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid
SMILESCCC1(CC(=O)O)CC(C)=NO1
InChIInChI=1S/C8H13NO3/c1-3-8(5-7(10)11)4-6(2)9-12-8/h3-5H2,1-2H3,(H,10,11)
InChIKeyCXOVGZZYPKCQJG-UHFFFAOYSA-N
XLogP1.41
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-5-methyl-4,5-dihydro-1,2-oxazol-5-YL)acetic acid
CID 129011598
2-[(5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 53897424
2-[(5S)-3,4-dimethyl-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 53897425
2-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]acetic acid
CID 118298732
3-[5-(carboxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]propanoic acid
CID 134225165
2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetic acid
CID 175794257
methyl 2-[5-[(2Z)-2-hydroxyiminopropyl]-3-methyl-4H-1,2-oxazol-5-yl]acetate
CID 21825553
3-(4-methyl-5-oxo-4H-1,2-oxazol-3-yl)butanoic acid
CID 83857134
2-[1-(Propan-2-ylideneamino)oxycyclobutyl]acetic acid
CID 103272862
2-(3,5-dimethyl-4H-1,2-oxazol-5-yl)acetic acid
CID 129927280

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid (CID 134338083) is 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid is CCC1(CC(=O)O)CC(C)=NO1.
What is the InChIKey of 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid?
The InChIKey is CXOVGZZYPKCQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-8(5-7(10)11)4-6(2)9-12-8/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid?
2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid has a molecular weight of 171.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-methyl-4H-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 134338083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).