N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H19FN2O2 — CID 4897826

IUPACN-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)14-10-15(21-19-14)16(20)18-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2,(H,18,20)
InChIKeySJTPKOYEIKWVAR-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.77
Rot. Bonds3

About N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 4897826) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID4897826
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)14-10-15(21-19-14)16(20)18-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2,(H,18,20)
InChIKeySJTPKOYEIKWVAR-UHFFFAOYSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 4897826) is N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SJTPKOYEIKWVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)14-10-15(21-19-14)16(20)18-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2,(H,18,20).
What are the key properties of N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 4897826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).