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

C11H15N3O2 — CID 79105108

IUPAC1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2nc(C)no2)c1
InChIInChI=1S/C11H15N3O2/c1-3-10(15)9-4-5-14(6-9)7-11-12-8(2)13-16-11/h4-6,10,15H,3,7H2,1-2H3
InChIKeyLWYFUFPMHSZIJK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.67
Rot. Bonds4

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

1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79105108) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79105108
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2nc(C)no2)c1
InChIInChI=1S/C11H15N3O2/c1-3-10(15)9-4-5-14(6-9)7-11-12-8(2)13-16-11/h4-6,10,15H,3,7H2,1-2H3
InChIKeyLWYFUFPMHSZIJK-UHFFFAOYSA-N
XLogP1.67
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 79105108) is 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(Cc2nc(C)no2)c1.
What is the InChIKey of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is LWYFUFPMHSZIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-10(15)9-4-5-14(6-9)7-11-12-8(2)13-16-11/h4-6,10,15H,3,7H2,1-2H3.
What are the key properties of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79105108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).