N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide

C21H25F2N3O2 — CID 162648868

IUPACN-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C21H25F2N3O2/c22-14-6-7-17(18(23)12-14)19-13-20(28-25-19)21(27)24-15-8-10-26(11-9-15)16-4-2-1-3-5-16/h6-7,12-13,15-16H,1-5,8-11H2,(H,24,27)
InChIKeyVYENVWDVDVFRHH-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.15
Rot. Bonds4

About N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide

N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 162648868) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID162648868
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)no1
InChIInChI=1S/C21H25F2N3O2/c22-14-6-7-17(18(23)12-14)19-13-20(28-25-19)21(27)24-15-8-10-26(11-9-15)16-4-2-1-3-5-16/h6-7,12-13,15-16H,1-5,8-11H2,(H,24,27)
InChIKeyVYENVWDVDVFRHH-UHFFFAOYSA-N
XLogP4.15
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide (CID 162648868) is N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide is O=C(NC1CCN(C2CCCCC2)CC1)c1cc(-c2ccc(F)cc2F)no1.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is VYENVWDVDVFRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c22-14-6-7-17(18(23)12-14)19-13-20(28-25-19)21(27)24-15-8-10-26(11-9-15)16-4-2-1-3-5-16/h6-7,12-13,15-16H,1-5,8-11H2,(H,24,27).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide?
N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162648868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).