N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide

C20H20N2O2 — CID 78811228

IUPACN-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)on1
InChIInChI=1S/C20H20N2O2/c1-16-14-19(24-21-16)20(23)22(15-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3
InChIKeyJLOHJOIHICWAKF-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.87
Rot. Bonds6

About N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide

N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 78811228) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide
PubChem CID78811228
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)on1
InChIInChI=1S/C20H20N2O2/c1-16-14-19(24-21-16)20(23)22(15-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3
InChIKeyJLOHJOIHICWAKF-UHFFFAOYSA-N
XLogP3.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide
CID 86819641
N-[(4-fluorophenyl)methyl]-3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 78810477
N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 100740539
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 24676552
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
CID 143540214
N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 126989856

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide (CID 78811228) is N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)on1.
What is the InChIKey of N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is JLOHJOIHICWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-16-14-19(24-21-16)20(23)22(15-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3.
What are the key properties of N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 78811228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).