[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol

C11H13N3O2 — CID 66398685

IUPAC[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol
SMILESOCc1cccn1Cc1noc(C2CC2)n1
InChIInChI=1S/C11H13N3O2/c15-7-9-2-1-5-14(9)6-10-12-11(16-13-10)8-3-4-8/h1-2,5,8,15H,3-4,6-7H2
InChIKeyYALCHODUYNDVEF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.29
Rot. Bonds4

About [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol (PubChem CID 66398685) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol
PubChem CID66398685
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol
SMILESOCc1cccn1Cc1noc(C2CC2)n1
InChIInChI=1S/C11H13N3O2/c15-7-9-2-1-5-14(9)6-10-12-11(16-13-10)8-3-4-8/h1-2,5,8,15H,3-4,6-7H2
InChIKeyYALCHODUYNDVEF-UHFFFAOYSA-N
XLogP1.29
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol?
The IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol (CID 66398685) is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol?
The canonical SMILES for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol is OCc1cccn1Cc1noc(C2CC2)n1.
What is the InChIKey of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol?
The InChIKey is YALCHODUYNDVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-7-9-2-1-5-14(9)6-10-12-11(16-13-10)8-3-4-8/h1-2,5,8,15H,3-4,6-7H2.
What are the key properties of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol?
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol has a molecular weight of 219.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 66398685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).