5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide

C20H20N2O3 — CID 57051904

IUPAC5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2noc(CCC(O)c3ccccc3)c2C(N)=O)cc1
InChIInChI=1S/C20H20N2O3/c1-13-7-9-15(10-8-13)19-18(20(21)24)17(25-22-19)12-11-16(23)14-5-3-2-4-6-14/h2-10,16,23H,11-12H2,1H3,(H2,21,24)
InChIKeyKIWBKUGKRAIKIO-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.42
Rot. Bonds6

About 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide

5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 57051904) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID57051904
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2noc(CCC(O)c3ccccc3)c2C(N)=O)cc1
InChIInChI=1S/C20H20N2O3/c1-13-7-9-15(10-8-13)19-18(20(21)24)17(25-22-19)12-11-16(23)14-5-3-2-4-6-14/h2-10,16,23H,11-12H2,1H3,(H2,21,24)
InChIKeyKIWBKUGKRAIKIO-UHFFFAOYSA-N
XLogP3.42
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(4-methylphenyl)-3-phenylpyridazine-4-carboxamide
CID 175967812
4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
CID 132535803
2-(4-methylphenoxy)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614298
5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 91105288
4-amino-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 66598652
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
[2-oxo-2-(2-phenylpropylamino)ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505272
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
[2-(benzhydrylamino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614483

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide (CID 57051904) is 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(-c2noc(CCC(O)c3ccccc3)c2C(N)=O)cc1.
What is the InChIKey of 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is KIWBKUGKRAIKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-7-9-15(10-8-13)19-18(20(21)24)17(25-22-19)12-11-16(23)14-5-3-2-4-6-14/h2-10,16,23H,11-12H2,1H3,(H2,21,24).
What are the key properties of 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-phenylpropyl)-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 57051904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).