3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid

C14H17NO4 — CID 115061763

IUPAC3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
SMILESCOc1ccccc1CC1CN=C(CCC(=O)O)O1
InChIInChI=1S/C14H17NO4/c1-18-12-5-3-2-4-10(12)8-11-9-15-13(19-11)6-7-14(16)17/h2-5,11H,6-9H2,1H3,(H,16,17)
InChIKeyBWOOFDKIKJWRFC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.90
Rot. Bonds6

About 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid

3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid (PubChem CID 115061763) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
PubChem CID115061763
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
SMILESCOc1ccccc1CC1CN=C(CCC(=O)O)O1
InChIInChI=1S/C14H17NO4/c1-18-12-5-3-2-4-10(12)8-11-9-15-13(19-11)6-7-14(16)17/h2-5,11H,6-9H2,1H3,(H,16,17)
InChIKeyBWOOFDKIKJWRFC-UHFFFAOYSA-N
XLogP1.90
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid (CID 115061763) is 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid is COc1ccccc1CC1CN=C(CCC(=O)O)O1.
What is the InChIKey of 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is BWOOFDKIKJWRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-12-5-3-2-4-10(12)8-11-9-15-13(19-11)6-7-14(16)17/h2-5,11H,6-9H2,1H3,(H,16,17).
What are the key properties of 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid?
3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 115061763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).