2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid

C9H15NO3 — CID 115061108

IUPAC2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
SMILESCC(C)CC1=NC(CC(=O)O)CO1
InChIInChI=1S/C9H15NO3/c1-6(2)3-8-10-7(5-13-8)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyKCNCDTPXIOZVFZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.30
Rot. Bonds4

About 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid

2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid (PubChem CID 115061108) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
PubChem CID115061108
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
SMILESCC(C)CC1=NC(CC(=O)O)CO1
InChIInChI=1S/C9H15NO3/c1-6(2)3-8-10-7(5-13-8)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyKCNCDTPXIOZVFZ-UHFFFAOYSA-N
XLogP1.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid with MolForge

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Related Compounds

2-Methoxycarbonylpropyl-2-oxazoline
CID 167633420
2-Tert-butyl-4-carboxymethyl-oxazoline
CID 22987252
Ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate
CID 23453463
Ethyl 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)acetate
CID 140054633
4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one
CID 166067120
3-(4,5-Dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid
CID 174868829
2-(2-Methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
CID 174868830
ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate
CID 11346643
ethyl 2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate
CID 21673920
Ethyl 2-(5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl)acetate
CID 73821699
ethyl 2-((5R)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl)acetate
CID 78357975
3-(4-Methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
CID 84650546

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid (CID 115061108) is 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid is CC(C)CC1=NC(CC(=O)O)CO1.
What is the InChIKey of 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid?
The InChIKey is KCNCDTPXIOZVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)3-8-10-7(5-13-8)4-9(11)12/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid?
2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid has a molecular weight of 185.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 115061108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).