1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

C14H14N4O2 — CID 138995276

IUPAC1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESOC1(c2nc(-c3nccc4[nH]ccc34)no2)CCCC1
InChIInChI=1S/C14H14N4O2/c19-14(5-1-2-6-14)13-17-12(18-20-13)11-9-3-7-15-10(9)4-8-16-11/h3-4,7-8,15,19H,1-2,5-6H2
InChIKeyDMNMCFLPGQNBNT-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.37
Rot. Bonds2

About 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 138995276) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID138995276
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESOC1(c2nc(-c3nccc4[nH]ccc34)no2)CCCC1
InChIInChI=1S/C14H14N4O2/c19-14(5-1-2-6-14)13-17-12(18-20-13)11-9-3-7-15-10(9)4-8-16-11/h3-4,7-8,15,19H,1-2,5-6H2
InChIKeyDMNMCFLPGQNBNT-UHFFFAOYSA-N
XLogP2.37
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 138995276) is 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is OC1(c2nc(-c3nccc4[nH]ccc34)no2)CCCC1.
What is the InChIKey of 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is DMNMCFLPGQNBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-14(5-1-2-6-14)13-17-12(18-20-13)11-9-3-7-15-10(9)4-8-16-11/h3-4,7-8,15,19H,1-2,5-6H2.
What are the key properties of 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 270.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrrolo[3,2-c]pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 138995276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).