5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide

C19H22N2O4 — CID 24794282

IUPAC5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)NC3CCCCC3)no2)cc1
InChIInChI=1S/C19H22N2O4/c1-13(22)14-7-9-16(10-8-14)24-12-17-11-18(21-25-17)19(23)20-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,20,23)
InChIKeyRKIWWFPSDSHDQN-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.52
Rot. Bonds6

About 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide

5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide (PubChem CID 24794282) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide
PubChem CID24794282
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2cc(C(=O)NC3CCCCC3)no2)cc1
InChIInChI=1S/C19H22N2O4/c1-13(22)14-7-9-16(10-8-14)24-12-17-11-18(21-25-17)19(23)20-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,20,23)
InChIKeyRKIWWFPSDSHDQN-UHFFFAOYSA-N
XLogP3.52
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide (CID 24794282) is 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(OCc2cc(C(=O)NC3CCCCC3)no2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide?
The InChIKey is RKIWWFPSDSHDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(22)14-7-9-16(10-8-14)24-12-17-11-18(21-25-17)19(23)20-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,20,23).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-cyclohexyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).