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

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Related Compounds

3-[2-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
CID 115060897
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CID 25050817
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
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3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid
CID 117302932
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
3-[3-(2-carboxyethyl)-5-[(2-methoxyphenyl)methyl]phenyl]propanoic acid
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3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084021
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
3-[tert-butyl-[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 60826322
3-[2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486763
3-(2-ethyl-3-methoxyphenyl)propanoic acid
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3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930

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).