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

C14H15NO4 — CID 115084021

IUPAC3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
SMILESCOc1ccccc1Cc1nc(CCC(=O)O)co1
InChIInChI=1S/C14H15NO4/c1-18-12-5-3-2-4-10(12)8-13-15-11(9-19-13)6-7-14(16)17/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyIKZQGVVWJNRCTR-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.29
Rot. Bonds6

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

3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid (PubChem CID 115084021) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
PubChem CID115084021
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
SMILESCOc1ccccc1Cc1nc(CCC(=O)O)co1
InChIInChI=1S/C14H15NO4/c1-18-12-5-3-2-4-10(12)8-13-15-11(9-19-13)6-7-14(16)17/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyIKZQGVVWJNRCTR-UHFFFAOYSA-N
XLogP2.29
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-carboxyethyl)-5-[(2-methoxyphenyl)methyl]phenyl]propanoic acid
CID 67636560
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2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid
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5-(2-methoxyphenyl)pentanoic acid
CID 25050817
3-[2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
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3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718606
3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 82412935
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
3-[5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]propanoic acid
CID 115061763
2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
CID 82128961

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid (CID 115084021) is 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid is COc1ccccc1Cc1nc(CCC(=O)O)co1.
What is the InChIKey of 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is IKZQGVVWJNRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-12-5-3-2-4-10(12)8-13-15-11(9-19-13)6-7-14(16)17/h2-5,9H,6-8H2,1H3,(H,16,17).
What are the key properties of 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid?
3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 115084021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).