N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide

C20H20N2O2 — CID 39428449

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-15-9-11-16(12-10-15)14-22(2)20(23)18-13-19(24-21-18)17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3
InChIKeyKJHCNSAHCIUFMV-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.18
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide

N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 39428449) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID39428449
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-15-9-11-16(12-10-15)14-22(2)20(23)18-13-19(24-21-18)17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3
InChIKeyKJHCNSAHCIUFMV-UHFFFAOYSA-N
XLogP4.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427540
N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
CID 134023402
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404
N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 56810430
N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93138369
N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 139583066
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497103

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide (CID 39428449) is N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide is CCc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is KJHCNSAHCIUFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-15-9-11-16(12-10-15)14-22(2)20(23)18-13-19(24-21-18)17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39428449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).