N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide

C18H22N2O2 — CID 75484697

IUPACN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(CCC(=O)Nc2c(C)noc2C2CC2)c1
InChIInChI=1S/C18H22N2O2/c1-11-8-12(2)10-14(9-11)4-7-16(21)19-17-13(3)20-22-18(17)15-5-6-15/h8-10,15H,4-7H2,1-3H3,(H,19,21)
InChIKeyGVVACSVJSASYNG-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.05
Rot. Bonds5

About N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide

N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide (PubChem CID 75484697) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide
PubChem CID75484697
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(CCC(=O)Nc2c(C)noc2C2CC2)c1
InChIInChI=1S/C18H22N2O2/c1-11-8-12(2)10-14(9-11)4-7-16(21)19-17-13(3)20-22-18(17)15-5-6-15/h8-10,15H,4-7H2,1-3H3,(H,19,21)
InChIKeyGVVACSVJSASYNG-UHFFFAOYSA-N
XLogP4.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide?
The IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide (CID 75484697) is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(CCC(=O)Nc2c(C)noc2C2CC2)c1.
What is the InChIKey of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide?
The InChIKey is GVVACSVJSASYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11-8-12(2)10-14(9-11)4-7-16(21)19-17-13(3)20-22-18(17)15-5-6-15/h8-10,15H,4-7H2,1-3H3,(H,19,21).
What are the key properties of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide?
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 75484697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).