N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide

C14H22N4O2 — CID 119344647

IUPACN-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCc1noc(C2CCC(NC(=O)C3CCCN3)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-9-16-14(20-18-9)10-4-6-11(7-5-10)17-13(19)12-3-2-8-15-12/h10-12,15H,2-8H2,1H3,(H,17,19)
InChIKeyJZBSGUDSCDBSKU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.27
Rot. Bonds3

About N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide

N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 119344647) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID119344647
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCc1noc(C2CCC(NC(=O)C3CCCN3)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-9-16-14(20-18-9)10-4-6-11(7-5-10)17-13(19)12-3-2-8-15-12/h10-12,15H,2-8H2,1H3,(H,17,19)
InChIKeyJZBSGUDSCDBSKU-UHFFFAOYSA-N
XLogP1.27
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide (CID 119344647) is N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide is Cc1noc(C2CCC(NC(=O)C3CCCN3)CC2)n1.
What is the InChIKey of N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is JZBSGUDSCDBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-16-14(20-18-9)10-4-6-11(7-5-10)17-13(19)12-3-2-8-15-12/h10-12,15H,2-8H2,1H3,(H,17,19).
What are the key properties of N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide?
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119344647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).