N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide

C20H20N2O3 — CID 71781801

IUPACN-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C20H20N2O3/c1-14-12-18(22-25-14)19(23)21-13-20(2,24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,21,23)
InChIKeyCITSZBBGLXPPOL-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.29
Rot. Bonds5

About N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71781801) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71781801
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C20H20N2O3/c1-14-12-18(22-25-14)19(23)21-13-20(2,24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,21,23)
InChIKeyCITSZBBGLXPPOL-UHFFFAOYSA-N
XLogP3.29
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 71781805
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 90497502
N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 111335201
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 96521382
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815
2,6-difluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzamide
CID 71781812
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71781801) is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(C)(O)c2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CITSZBBGLXPPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-12-18(22-25-14)19(23)21-13-20(2,24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,24H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71781801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).