3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide

C15H18N2O2 — CID 17174146

IUPAC3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-3-13-14(11(2)19-17-13)15(18)16-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,18)
InChIKeyYYXULMOVUGTUSE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.52
Rot. Bonds5

About 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 17174146) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID17174146
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-3-13-14(11(2)19-17-13)15(18)16-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,18)
InChIKeyYYXULMOVUGTUSE-UHFFFAOYSA-N
XLogP2.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Mls003170801
CID 332790
N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
Cambridge id 5777587
CID 869900
N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
3-(2-chloro-6-fluorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 2374581

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide (CID 17174146) is 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is YYXULMOVUGTUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-13-14(11(2)19-17-13)15(18)16-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17174146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).