3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid

C9H13NO4 — CID 115081944

IUPAC3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid
SMILESO=C(O)CCc1coc(CCCO)n1
InChIInChI=1S/C9H13NO4/c11-5-1-2-8-10-7(6-14-8)3-4-9(12)13/h6,11H,1-5H2,(H,12,13)
InChIKeyKKTGYEKJNAFKKH-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.62
Rot. Bonds6

About 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid

3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid (PubChem CID 115081944) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid
PubChem CID115081944
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid
SMILESO=C(O)CCc1coc(CCCO)n1
InChIInChI=1S/C9H13NO4/c11-5-1-2-8-10-7(6-14-8)3-4-9(12)13/h6,11H,1-5H2,(H,12,13)
InChIKeyKKTGYEKJNAFKKH-UHFFFAOYSA-N
XLogP0.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 82412935
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084172
3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084021
3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171
2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid
CID 115081943
3-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083344
3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083507
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
2-[2-(chloromethyl)-1,3-oxazol-4-yl]acetic acid
CID 174696491
3-(4-cyclopentyl-1,3-oxazol-2-yl)propan-1-ol
CID 115020265
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115034902

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid (CID 115081944) is 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid is O=C(O)CCc1coc(CCCO)n1.
What is the InChIKey of 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is KKTGYEKJNAFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-5-1-2-8-10-7(6-14-8)3-4-9(12)13/h6,11H,1-5H2,(H,12,13).
What are the key properties of 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid?
3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 115081944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).