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

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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).