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

C18H22N2O2 — CID 53195326

IUPAC2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCC2)nc1C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13-16(19-17(22-13)15-9-6-10-15)18(21)20(2)12-11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3
InChIKeyUYPMHRDXYAUMFB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.57
Rot. Bonds5

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

2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 53195326) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID53195326
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCC2)nc1C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13-16(19-17(22-13)15-9-6-10-15)18(21)20(2)12-11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3
InChIKeyUYPMHRDXYAUMFB-UHFFFAOYSA-N
XLogP3.57
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (CID 53195326) is 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is Cc1oc(C2CCC2)nc1C(=O)N(C)CCc1ccccc1.
What is the InChIKey of 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UYPMHRDXYAUMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-16(19-17(22-13)15-9-6-10-15)18(21)20(2)12-11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3.
What are the key properties of 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).