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

C16H18N2O2 — CID 97314194

IUPAC3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1
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)/t12-,14-/m1/s1
InChIKeyZBBJYPVYFXEUDW-TZMCWYRMSA-N
MW270.33 g/mol
LogP2.83
Rot. Bonds4

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

3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide (PubChem CID 97314194) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide
PubChem CID97314194
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1
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)/t12-,14-/m1/s1
InChIKeyZBBJYPVYFXEUDW-TZMCWYRMSA-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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Related Compounds

3-ethyl-5-methyl-N-(2-phenylcyclopropyl)-1,2-oxazole-4-carboxamide
CID 47734044
3-ethyl-5-methyl-N-[(1R)-1-[(1R,2R)-2-phenylcyclopropyl]ethyl]-1,2-oxazole-4-carboxamide
CID 124732366
3-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104927948
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813133
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812677
3-ethyl-N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91781523
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 42929290
4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 66118023
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 95766310

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide (CID 97314194) is 3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZBBJYPVYFXEUDW-TZMCWYRMSA-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)/t12-,14-/m1/s1.
What are the key properties of 3-ethyl-5-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[(1R,2R)-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-[(1R,2R)-2-phenylcyclopropyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97314194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).