1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid

C20H19NO5 — CID 140536855

IUPAC1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2=NOC(O)(C3(C(=O)O)CC3)C2c2ccccc2)cc1
InChIInChI=1S/C20H19NO5/c1-25-15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)20(24,26-21-17)19(11-12-19)18(22)23/h2-10,16,24H,11-12H2,1H3,(H,22,23)
InChIKeyKTCIDWZANDWJRQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.77
Rot. Bonds5

About 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid

1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 140536855) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID140536855
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2=NOC(O)(C3(C(=O)O)CC3)C2c2ccccc2)cc1
InChIInChI=1S/C20H19NO5/c1-25-15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)20(24,26-21-17)19(11-12-19)18(22)23/h2-10,16,24H,11-12H2,1H3,(H,22,23)
InChIKeyKTCIDWZANDWJRQ-UHFFFAOYSA-N
XLogP2.77
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-(4-methylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol
CID 59857619
4'-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 101271227
(3S,4'R)-7-chloro-3'-(4-methoxyphenyl)-4'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 73054745
(3R,4'R)-3',4'-bis(4-methoxyphenyl)spiro[1-benzofuran-3,5'-4H-1,2-oxazole]-2-one
CID 102154957
(3S,4'R)-4'-(4-methoxyphenyl)-3'-phenylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
CID 12981966
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(4S,5R)-3-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-4H-1,2-oxazole
CID 73295001
(E)-1-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 11761126
(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
CID 71398426
[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
(5R,6S)-4-(4-methoxyphenyl)-6-phenylspiro[1,3-diazabicyclo[3.1.0]hex-3-ene-2,1'-cyclododecane]
CID 95564221

Frequently Asked Questions

What is the IUPAC name of 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid (CID 140536855) is 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid is COc1ccc(C2=NOC(O)(C3(C(=O)O)CC3)C2c2ccccc2)cc1.
What is the InChIKey of 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is KTCIDWZANDWJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-25-15-9-7-14(8-10-15)17-16(13-5-3-2-4-6-13)20(24,26-21-17)19(11-12-19)18(22)23/h2-10,16,24H,11-12H2,1H3,(H,22,23).
What are the key properties of 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid?
1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-hydroxy-3-(4-methoxyphenyl)-4-phenyl-4H-1,2-oxazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 140536855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).