N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H20N2O3 — CID 78795967

IUPACN-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15-18(19(21-25-15)17-10-6-3-7-11-17)20(24)22(12-13-23)14-16-8-4-2-5-9-16/h2-11,23H,12-14H2,1H3
InChIKeyJISZYLNEWDJRRC-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.28
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 78795967) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID78795967
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15-18(19(21-25-15)17-10-6-3-7-11-17)20(24)22(12-13-23)14-16-8-4-2-5-9-16/h2-11,23H,12-14H2,1H3
InChIKeyJISZYLNEWDJRRC-UHFFFAOYSA-N
XLogP3.28
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-cyanoethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2210713
5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
CID 807635
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4651566
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110886583
N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 39858071
N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 31619587
N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387292
N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 17256808
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 4807520
N-benzyl-N-(2-hydroxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78855200

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 78795967) is N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is JISZYLNEWDJRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-15-18(19(21-25-15)17-10-6-3-7-11-17)20(24)22(12-13-23)14-16-8-4-2-5-9-16/h2-11,23H,12-14H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 78795967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).