N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide

C18H24N6O2 — CID 74443087

IUPACN-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
SMILESCN1CC(NC(=O)C2CCCCC2)CC1c1nc(-c2cncnc2)no1
InChIInChI=1S/C18H24N6O2/c1-24-10-14(21-17(25)12-5-3-2-4-6-12)7-15(24)18-22-16(23-26-18)13-8-19-11-20-9-13/h8-9,11-12,14-15H,2-7,10H2,1H3,(H,21,25)
InChIKeyYTQPINBABHYOSQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.97
Rot. Bonds4

About N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide

N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide (PubChem CID 74443087) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
PubChem CID74443087
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
SMILESCN1CC(NC(=O)C2CCCCC2)CC1c1nc(-c2cncnc2)no1
InChIInChI=1S/C18H24N6O2/c1-24-10-14(21-17(25)12-5-3-2-4-6-12)7-15(24)18-22-16(23-26-18)13-8-19-11-20-9-13/h8-9,11-12,14-15H,2-7,10H2,1H3,(H,21,25)
InChIKeyYTQPINBABHYOSQ-UHFFFAOYSA-N
XLogP1.97
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide (CID 74443087) is N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide is CN1CC(NC(=O)C2CCCCC2)CC1c1nc(-c2cncnc2)no1.
What is the InChIKey of N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The InChIKey is YTQPINBABHYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-24-10-14(21-17(25)12-5-3-2-4-6-12)7-15(24)18-22-16(23-26-18)13-8-19-11-20-9-13/h8-9,11-12,14-15H,2-7,10H2,1H3,(H,21,25).
What are the key properties of N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 74443087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).