2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid

C9H13NO4 — CID 115081943

IUPAC2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid
SMILESCOCCCc1nc(CC(=O)O)co1
InChIInChI=1S/C9H13NO4/c1-13-4-2-3-8-10-7(6-14-8)5-9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyFZNNPOUUXHAHPP-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid

2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 115081943) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid
PubChem CID115081943
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid
SMILESCOCCCc1nc(CC(=O)O)co1
InChIInChI=1S/C9H13NO4/c1-13-4-2-3-8-10-7(6-14-8)5-9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyFZNNPOUUXHAHPP-UHFFFAOYSA-N
XLogP0.88
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(chloromethyl)-1,3-oxazol-4-yl]acetic acid
CID 174696491
3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 82412935
3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid
CID 115081944
2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid
CID 82133006
2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
CID 82128961
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
1-[2-(2-methoxyethyl)-1,3-oxazol-4-yl]ethanone
CID 115081953
2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084012
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115082575
3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084021
4-tert-butyl-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylic acid
CID 114372698
2-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115083178

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid (CID 115081943) is 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid is COCCCc1nc(CC(=O)O)co1.
What is the InChIKey of 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is FZNNPOUUXHAHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-13-4-2-3-8-10-7(6-14-8)5-9(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid?
2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 115081943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).