5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole

C18H24N4O — CID 86276043

IUPAC5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2cc(N3CCCC3)c(C3CC3)cn2)no1
InChIInChI=1S/C18H24N4O/c1-18(2,3)17-20-16(21-23-17)14-10-15(22-8-4-5-9-22)13(11-19-14)12-6-7-12/h10-12H,4-9H2,1-3H3
InChIKeyLAXQRHUWJZBDFA-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.91
Rot. Bonds3

About 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole

5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 86276043) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID86276043
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(-c2cc(N3CCCC3)c(C3CC3)cn2)no1
InChIInChI=1S/C18H24N4O/c1-18(2,3)17-20-16(21-23-17)14-10-15(22-8-4-5-9-22)13(11-19-14)12-6-7-12/h10-12H,4-9H2,1-3H3
InChIKeyLAXQRHUWJZBDFA-UHFFFAOYSA-N
XLogP3.91
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(pyridin-3-ylmethyl)methanamine
CID 16190983
5-Propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 662473
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
3-(1-Methylindol-3-yl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 14810798
5-(1,1-Dimethylpiperidin-1-ium-4-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole iodide
CID 14810820
N,N-dimethyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 14810848
5-[5-[1-(5-Pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825947
N,N-dimethyl-3-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 14810794
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(2-pyridinylmethyl)methanamine
CID 16188995
1-{[3-(Diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(3-methylpyridin-2-yl)methyl]piperazine
CID 16190487

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole (CID 86276043) is 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole is CC(C)(C)c1nc(-c2cc(N3CCCC3)c(C3CC3)cn2)no1.
What is the InChIKey of 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is LAXQRHUWJZBDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2,3)17-20-16(21-23-17)14-10-15(22-8-4-5-9-22)13(11-19-14)12-6-7-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole?
5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 312.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(5-cyclopropyl-4-pyrrolidin-1-yl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 86276043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).