3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol

C14H25N3O2 — CID 62467458

IUPAC3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)c1nc(CN2CCCC2CCCO)no1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)13-15-12(16-19-13)10-17-8-4-6-11(17)7-5-9-18/h11,18H,4-10H2,1-3H3
InChIKeyXLCQLHXSKHPKOL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.10
Rot. Bonds5

About 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467458) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467458
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)c1nc(CN2CCCC2CCCO)no1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)13-15-12(16-19-13)10-17-8-4-6-11(17)7-5-9-18/h11,18H,4-10H2,1-3H3
InChIKeyXLCQLHXSKHPKOL-UHFFFAOYSA-N
XLogP2.10
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol with MolForge

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Related Compounds

2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369742
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 47053532
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62020461
5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 94032371
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62021392
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111815806
[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80505901
(4aR,8aS)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100905127
(4aS,8aS)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94171696
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 55076080
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-yl]ethanol
CID 126805664

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62467458) is 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol is CC(C)(C)c1nc(CN2CCCC2CCCO)no1.
What is the InChIKey of 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is XLCQLHXSKHPKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)13-15-12(16-19-13)10-17-8-4-6-11(17)7-5-9-18/h11,18H,4-10H2,1-3H3.
What are the key properties of 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).