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

C19H17NO4 — CID 3061216

IUPAC2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
SMILESCOc1ccc(-c2cc(-c3ccc(C(C)C(=O)O)cc3)no2)cc1
InChIInChI=1S/C19H17NO4/c1-12(19(21)22)13-3-5-14(6-4-13)17-11-18(24-20-17)15-7-9-16(23-2)10-8-15/h3-12H,1-2H3,(H,21,22)
InChIKeyOTPFGKBQCHSDBS-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.21
Rot. Bonds5

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

2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid (PubChem CID 3061216) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
PubChem CID3061216
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid
SMILESCOc1ccc(-c2cc(-c3ccc(C(C)C(=O)O)cc3)no2)cc1
InChIInChI=1S/C19H17NO4/c1-12(19(21)22)13-3-5-14(6-4-13)17-11-18(24-20-17)15-7-9-16(23-2)10-8-15/h3-12H,1-2H3,(H,21,22)
InChIKeyOTPFGKBQCHSDBS-UHFFFAOYSA-N
XLogP4.21
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
methyl 2-[4-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]phenyl]propanoate
CID 3061223
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
CID 157331478
[4-(5-phenyl-1,2-oxazol-3-yl)phenyl] benzoate
CID 144750288
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid (CID 3061216) is 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid is COc1ccc(-c2cc(-c3ccc(C(C)C(=O)O)cc3)no2)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid?
The InChIKey is OTPFGKBQCHSDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12(19(21)22)13-3-5-14(6-4-13)17-11-18(24-20-17)15-7-9-16(23-2)10-8-15/h3-12H,1-2H3,(H,21,22).
What are the key properties of 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid?
2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid has a molecular weight of 323.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 3061216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).