1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone

C16H14N2O4S — CID 17443233

IUPAC1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H14N2O4S/c1-10(19)11-5-6-12(13(8-11)20-2)21-9-15-17-18-16(22-15)14-4-3-7-23-14/h3-8H,9H2,1-2H3
InChIKeyJOKSXPXCKPFYPA-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.59
Rot. Bonds6

About 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone

1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone (PubChem CID 17443233) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
PubChem CID17443233
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H14N2O4S/c1-10(19)11-5-6-12(13(8-11)20-2)21-9-15-17-18-16(22-15)14-4-3-7-23-14/h3-8H,9H2,1-2H3
InChIKeyJOKSXPXCKPFYPA-UHFFFAOYSA-N
XLogP3.59
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone with MolForge

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Related Compounds

1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 26054578
4-ethoxy-3-methoxy-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 52895534
2-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]acetamide
CID 75390973
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902722
methyl 3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoate
CID 17420011
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110322438
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629
2,6-dimethyl-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-3-carbonitrile
CID 75431420
N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine
CID 4827439

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone (CID 17443233) is 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1nnc(-c2cccs2)o1.
What is the InChIKey of 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The InChIKey is JOKSXPXCKPFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10(19)11-5-6-12(13(8-11)20-2)21-9-15-17-18-16(22-15)14-4-3-7-23-14/h3-8H,9H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone has a molecular weight of 330.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 17443233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).