2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol

C10H11N3O2S — CID 136994389

IUPAC2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol
SMILESOc1ccsc1-c1nc(N2CCCC2)no1
InChIInChI=1S/C10H11N3O2S/c14-7-3-6-16-8(7)9-11-10(12-15-9)13-4-1-2-5-13/h3,6,14H,1-2,4-5H2
InChIKeyVQORCCOPDJIKBP-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.10
Rot. Bonds2

About 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol

2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol (PubChem CID 136994389) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol
PubChem CID136994389
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol
SMILESOc1ccsc1-c1nc(N2CCCC2)no1
InChIInChI=1S/C10H11N3O2S/c14-7-3-6-16-8(7)9-11-10(12-15-9)13-4-1-2-5-13/h3,6,14H,1-2,4-5H2
InChIKeyVQORCCOPDJIKBP-UHFFFAOYSA-N
XLogP2.10
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114916062
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807104
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-6-methylphenol
CID 136994446
6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116808091
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 116808545
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
CID 116807317
[1-[1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
CID 151865086
4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol
CID 137017804

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol?
The IUPAC name of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol (CID 136994389) is 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol.
What is the SMILES notation for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol?
The canonical SMILES for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol is Oc1ccsc1-c1nc(N2CCCC2)no1.
What is the InChIKey of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol?
The InChIKey is VQORCCOPDJIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-7-3-6-16-8(7)9-11-10(12-15-9)13-4-1-2-5-13/h3,6,14H,1-2,4-5H2.
What are the key properties of 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol?
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol has a molecular weight of 237.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiophen-3-ol is sourced from PubChem (CID 136994389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).