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

C14H16N2O2 — CID 3650912

IUPAC3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,17)
InChIKeyNJWYDVJFMDXSBP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.26
Rot. Bonds4

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

3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 3650912) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID3650912
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,17)
InChIKeyNJWYDVJFMDXSBP-UHFFFAOYSA-N
XLogP2.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.26
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
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide (CID 3650912) is 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is NJWYDVJFMDXSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3650912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).