5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide

C16H18N2O2 — CID 42892858

IUPAC5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H18N2O2/c1-11(12-6-4-3-5-7-12)18(2)16(19)14-10-15(20-17-14)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyRXOBSFBEXGVAAI-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.39
Rot. Bonds4

About 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 42892858) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID42892858
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H18N2O2/c1-11(12-6-4-3-5-7-12)18(2)16(19)14-10-15(20-17-14)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyRXOBSFBEXGVAAI-UHFFFAOYSA-N
XLogP3.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 37493820
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid
CID 43355762
5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 96997695
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55152096
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 32812219
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56962223
5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
N-methyl-5-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 24532743
2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 79265864

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide (CID 42892858) is 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide is CC(c1ccccc1)N(C)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RXOBSFBEXGVAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(12-6-4-3-5-7-12)18(2)16(19)14-10-15(20-17-14)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42892858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).