3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide

C16H24N6O2 — CID 138994102

IUPAC3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1noc(CCNC(=O)N2CCC(c3nccn3C)C2)n1
InChIInChI=1S/C16H24N6O2/c1-11(2)14-19-13(24-20-14)4-6-18-16(23)22-8-5-12(10-22)15-17-7-9-21(15)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,18,23)
InChIKeyXDWLPYJOKNNZFG-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.67
Rot. Bonds5

About 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide

3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 138994102) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID138994102
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(C)c1noc(CCNC(=O)N2CCC(c3nccn3C)C2)n1
InChIInChI=1S/C16H24N6O2/c1-11(2)14-19-13(24-20-14)4-6-18-16(23)22-8-5-12(10-22)15-17-7-9-21(15)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,18,23)
InChIKeyXDWLPYJOKNNZFG-UHFFFAOYSA-N
XLogP1.67
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 110911744
2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 71990183
4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 52826047
(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 99857295
1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51079863
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
CID 86904681
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 71991000
1-cyclopentyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 72879168
2-[(3R)-3-phenylpiperidin-1-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 97204454
N-[2-(4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098803
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 86784463

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide (CID 138994102) is 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide is CC(C)c1noc(CCNC(=O)N2CCC(c3nccn3C)C2)n1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is XDWLPYJOKNNZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11(2)14-19-13(24-20-14)4-6-18-16(23)22-8-5-12(10-22)15-17-7-9-21(15)3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,18,23).
What are the key properties of 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide?
3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138994102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).