1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

C16H16N2O3S2 — CID 51073499

IUPAC1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESOC(COCc1ccccc1)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H16N2O3S2/c19-13(10-20-9-12-5-2-1-3-6-12)11-23-16-18-17-15(21-16)14-7-4-8-22-14/h1-8,13,19H,9-11H2
InChIKeyJXNDPOGVXHBEPE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.47
Rot. Bonds8

About 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 51073499) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID51073499
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESOC(COCc1ccccc1)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H16N2O3S2/c19-13(10-20-9-12-5-2-1-3-6-12)11-23-16-18-17-15(21-16)14-7-4-8-22-14/h1-8,13,19H,9-11H2
InChIKeyJXNDPOGVXHBEPE-UHFFFAOYSA-N
XLogP3.47
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol with MolForge

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Related Compounds

7-Phenyl-1-(5-(thien-2-yl)-1,3,4-oxadiazol-2-yl)-heptan-1-one
CID 24950842
1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-thienyl)-
CID 745354
(5-Phenyl-1,3,4-oxadiazol-2-yl)-thiophen-2-ylmethanol
CID 4964129
(E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-thiophen-2-ylprop-2-enoic acid
CID 5846306
2-(Benzylsulfanyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 646210
4-Fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
CID 44460133
2,2,2-Trifluoro-1-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl)ethanone
CID 44563237
2-(2-Methylphenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 1488527
2-(4-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 644516
2-(2-Fluoro-benzylsulfanyl)-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 647044
(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid cyclohexyl ester
CID 648611
(5-Thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid benzyl ester
CID 655056

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (CID 51073499) is 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is OC(COCc1ccccc1)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is JXNDPOGVXHBEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c19-13(10-20-9-12-5-2-1-3-6-12)11-23-16-18-17-15(21-16)14-7-4-8-22-14/h1-8,13,19H,9-11H2.
What are the key properties of 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 348.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 51073499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).