3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide

C17H22N2O2 — CID 4783683

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCc2c(C)noc2C)c(C)c1
InChIInChI=1S/C17H22N2O2/c1-10-8-11(2)17(12(3)9-10)18-16(20)7-6-15-13(4)19-21-14(15)5/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKeyBYTXEAVZXYVWSH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.79
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 4783683) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID4783683
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCc2c(C)noc2C)c(C)c1
InChIInChI=1S/C17H22N2O2/c1-10-8-11(2)17(12(3)9-10)18-16(20)7-6-15-13(4)19-21-14(15)5/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKeyBYTXEAVZXYVWSH-UHFFFAOYSA-N
XLogP3.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 4783683) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CCc2c(C)noc2C)c(C)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is BYTXEAVZXYVWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-8-11(2)17(12(3)9-10)18-16(20)7-6-15-13(4)19-21-14(15)5/h8-9H,6-7H2,1-5H3,(H,18,20).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 4783683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).