3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one

C18H24N4O2 — CID 94616712

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccccn2)n1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)17-20-15(24-21-17)9-10-16(23)22-12-6-8-14(22)13-7-4-5-11-19-13/h4-5,7,11,14H,6,8-10,12H2,1-3H3/t14-/m1/s1
InChIKeyUSGKEAYKKOLXPM-CQSZACIVSA-N
MW328.42 g/mol
LogP3.06
Rot. Bonds4

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 94616712) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one
PubChem CID94616712
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccccn2)n1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)17-20-15(24-21-17)9-10-16(23)22-12-6-8-14(22)13-7-4-5-11-19-13/h4-5,7,11,14H,6,8-10,12H2,1-3H3/t14-/m1/s1
InChIKeyUSGKEAYKKOLXPM-CQSZACIVSA-N
XLogP3.06
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]propan-1-one
CID 38483127
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 51092103
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 95231480
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-4-ylazepan-1-yl)butan-1-one
CID 55764637
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 51092104
3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110093679
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 51949209
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 56779253
1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94616521
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120733188
3-(2-methylbenzimidazol-1-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 70770316

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one (CID 94616712) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one is CC(C)(C)c1noc(CCC(=O)N2CCC[C@@H]2c2ccccn2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is USGKEAYKKOLXPM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)17-20-15(24-21-17)9-10-16(23)22-12-6-8-14(22)13-7-4-5-11-19-13/h4-5,7,11,14H,6,8-10,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 94616712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).