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

C10H13N3O2 — CID 79106524

IUPAC1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
SMILESCc1noc(Cn2cccc2C(C)O)n1
InChIInChI=1S/C10H13N3O2/c1-7(14)9-4-3-5-13(9)6-10-11-8(2)12-15-10/h3-5,7,14H,6H2,1-2H3
InChIKeyDTRJXWIEPHECBZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.28
Rot. Bonds3

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

1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol (PubChem CID 79106524) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
PubChem CID79106524
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
SMILESCc1noc(Cn2cccc2C(C)O)n1
InChIInChI=1S/C10H13N3O2/c1-7(14)9-4-3-5-13(9)6-10-11-8(2)12-15-10/h3-5,7,14H,6H2,1-2H3
InChIKeyDTRJXWIEPHECBZ-UHFFFAOYSA-N
XLogP1.28
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
CID 79107387
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
2-methyl-N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402608
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanol
CID 82895318
1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-2-yl]ethanol
CID 79107263
2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097679
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115659257
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol
CID 79106645
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105108
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 18147318
2-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79109764

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol (CID 79106524) is 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol is Cc1noc(Cn2cccc2C(C)O)n1.
What is the InChIKey of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol?
The InChIKey is DTRJXWIEPHECBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7(14)9-4-3-5-13(9)6-10-11-8(2)12-15-10/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol?
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol has a molecular weight of 207.23 g/mol, XLogP of 1.28, 3 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-2-yl]ethanol is sourced from PubChem (CID 79106524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).