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

C9H11N3O2 — CID 66397836

IUPAC[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
SMILESCc1nonc1Cn1ccc(CO)c1
InChIInChI=1S/C9H11N3O2/c1-7-9(11-14-10-7)5-12-3-2-8(4-12)6-13/h2-4,13H,5-6H2,1H3
InChIKeyAJARZHTYPZORML-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.72
Rot. Bonds3

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

[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol (PubChem CID 66397836) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
PubChem CID66397836
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
SMILESCc1nonc1Cn1ccc(CO)c1
InChIInChI=1S/C9H11N3O2/c1-7-9(11-14-10-7)5-12-3-2-8(4-12)6-13/h2-4,13H,5-6H2,1H3
InChIKeyAJARZHTYPZORML-UHFFFAOYSA-N
XLogP0.72
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol (CID 66397836) is [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol is Cc1nonc1Cn1ccc(CO)c1.
What is the InChIKey of [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol?
The InChIKey is AJARZHTYPZORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7-9(11-14-10-7)5-12-3-2-8(4-12)6-13/h2-4,13H,5-6H2,1H3.
What are the key properties of [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol?
[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol has a molecular weight of 193.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66397836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).