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

C9H10N2O3S — CID 142472649

IUPAC[3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCOc1ccsc1-c1noc(CO)n1
InChIInChI=1S/C9H10N2O3S/c1-2-13-6-3-4-15-8(6)9-10-7(5-12)14-11-9/h3-4,12H,2,5H2,1H3
InChIKeyRSMVLOPWCRDIGC-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.69
Rot. Bonds4

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

[3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 142472649) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID142472649
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name[3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCCOc1ccsc1-c1noc(CO)n1
InChIInChI=1S/C9H10N2O3S/c1-2-13-6-3-4-15-8(6)9-10-7(5-12)14-11-9/h3-4,12H,2,5H2,1H3
InChIKeyRSMVLOPWCRDIGC-UHFFFAOYSA-N
XLogP1.69
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane
CID 142472775
ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen
CID 142472719
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 115533010
1-(2-ethoxyphenyl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiourea
CID 100761182
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
5-(chloromethyl)-3-(2-ethoxynaphthalen-1-yl)-1,2,4-oxadiazole
CID 54847485
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 90563722
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 137002934
3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607611
[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660254

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol (CID 142472649) is [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol is CCOc1ccsc1-c1noc(CO)n1.
What is the InChIKey of [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is RSMVLOPWCRDIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-2-13-6-3-4-15-8(6)9-10-7(5-12)14-11-9/h3-4,12H,2,5H2,1H3.
What are the key properties of [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 226.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 142472649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).