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

C16H21N3O2 — CID 62468153

IUPAC3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c20-11-5-9-14-8-4-10-19(14)12-15-17-18-16(21-15)13-6-2-1-3-7-13/h1-3,6-7,14,20H,4-5,8-12H2
InChIKeyPNWSNACHEQVGIZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.47
Rot. Bonds6

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

3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468153) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62468153
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H21N3O2/c20-11-5-9-14-8-4-10-19(14)12-15-17-18-16(21-15)13-6-2-1-3-7-13/h1-3,6-7,14,20H,4-5,8-12H2
InChIKeyPNWSNACHEQVGIZ-UHFFFAOYSA-N
XLogP2.47
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62468153) is 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is PNWSNACHEQVGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-11-5-9-14-8-4-10-19(14)12-15-17-18-16(21-15)13-6-2-1-3-7-13/h1-3,6-7,14,20H,4-5,8-12H2.
What are the key properties of 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).