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

C16H18N2O2 — CID 47734044

IUPAC3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-3-13-15(10(2)20-18-13)16(19)17-14-9-12(14)11-7-5-4-6-8-11/h4-8,12,14H,3,9H2,1-2H3,(H,17,19)
InChIKeyZBBJYPVYFXEUDW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.83
Rot. Bonds4

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

3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide (PubChem CID 47734044) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide
PubChem CID47734044
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-3-13-15(10(2)20-18-13)16(19)17-14-9-12(14)11-7-5-4-6-8-11/h4-8,12,14H,3,9H2,1-2H3,(H,17,19)
InChIKeyZBBJYPVYFXEUDW-UHFFFAOYSA-N
XLogP2.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide (CID 47734044) is 3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC1CC1c1ccccc1.
What is the InChIKey of 3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ZBBJYPVYFXEUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-13-15(10(2)20-18-13)16(19)17-14-9-12(14)11-7-5-4-6-8-11/h4-8,12,14H,3,9H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.83, 4 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-phenylcyclopropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47734044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).