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

C11H13N3O2 — CID 66399542

IUPAC[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C11H13N3O2/c15-7-8-3-4-14(5-8)6-10-12-11(16-13-10)9-1-2-9/h3-5,9,15H,1-2,6-7H2
InChIKeyBCNJKRTVYGXTGH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.29
Rot. Bonds4

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

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 66399542) 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-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
PubChem CID66399542
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C11H13N3O2/c15-7-8-3-4-14(5-8)6-10-12-11(16-13-10)9-1-2-9/h3-5,9,15H,1-2,6-7H2
InChIKeyBCNJKRTVYGXTGH-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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Related Compounds

1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099859
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol
CID 66398685
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210466
5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 56781190
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 61495208
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
CID 102916500
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79887566
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
CID 62222657
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194236
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728887

Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol (CID 66399542) is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol is OCc1ccn(Cc2noc(C3CC3)n2)c1.
What is the InChIKey of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is BCNJKRTVYGXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-7-8-3-4-14(5-8)6-10-12-11(16-13-10)9-1-2-9/h3-5,9,15H,1-2,6-7H2.
What are the key properties of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol?
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-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-3-yl]methanol is sourced from PubChem (CID 66399542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).