3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid

C9H15NO3 — CID 115061110

IUPAC3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESCCCC1=NC(CCC(=O)O)CO1
InChIInChI=1S/C9H15NO3/c1-2-3-8-10-7(6-13-8)4-5-9(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyHNKGHWNUIOSBDO-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.45
Rot. Bonds5

About 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid

3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (PubChem CID 115061110) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
PubChem CID115061110
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESCCCC1=NC(CCC(=O)O)CO1
InChIInChI=1S/C9H15NO3/c1-2-3-8-10-7(6-13-8)4-5-9(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyHNKGHWNUIOSBDO-UHFFFAOYSA-N
XLogP1.45
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole
CID 87869832
3-(2-cyclopentyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
CID 115060959
3-(2-propyl-4,5-dihydro-1,3-oxazol-5-yl)propanoic acid
CID 115060810
4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 139566761
3-(4-cyclobutyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
CID 115062250
(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole
CID 174668146
3-[4-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 84698426
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
CID 159605678
3-[4-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 115062262
2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
CID 115061194
2-[4-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115062239
butanoic acid;2-methyloxirane
CID 159918705

Frequently Asked Questions

What is the IUPAC name of 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (CID 115061110) is 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is CCCC1=NC(CCC(=O)O)CO1.
What is the InChIKey of 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The InChIKey is HNKGHWNUIOSBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-8-10-7(6-13-8)4-5-9(11)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 115061110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).