N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide

C21H28N4O2 — CID 50827781

IUPACN-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(C(=O)NC4CCCCC4)n3)cc2)CC1
InChIInChI=1S/C21H28N4O2/c1-15-11-13-25(14-12-15)18-9-7-16(8-10-18)19-23-21(27-24-19)20(26)22-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,22,26)
InChIKeyCAIRTOUGYDXCAJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.04
Rot. Bonds4

About N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide

N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50827781) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID50827781
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(C(=O)NC4CCCCC4)n3)cc2)CC1
InChIInChI=1S/C21H28N4O2/c1-15-11-13-25(14-12-15)18-9-7-16(8-10-18)19-23-21(27-24-19)20(26)22-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,22,26)
InChIKeyCAIRTOUGYDXCAJ-UHFFFAOYSA-N
XLogP4.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide (CID 50827781) is N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCN(c2ccc(-c3noc(C(=O)NC4CCCCC4)n3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CAIRTOUGYDXCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-11-13-25(14-12-15)18-9-7-16(8-10-18)19-23-21(27-24-19)20(26)22-17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,22,26).
What are the key properties of N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50827781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).