3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C19H14N2O3S — CID 38135888

IUPAC3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H14N2O3S/c22-19-21(20-18(24-19)17-11-6-12-25-17)13-14-7-4-5-10-16(14)23-15-8-2-1-3-9-15/h1-12H,13H2
InChIKeyZFIZQPXBYHEYCI-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.41
Rot. Bonds5

About 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 38135888) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID38135888
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H14N2O3S/c22-19-21(20-18(24-19)17-11-6-12-25-17)13-14-7-4-5-10-16(14)23-15-8-2-1-3-9-15/h1-12H,13H2
InChIKeyZFIZQPXBYHEYCI-UHFFFAOYSA-N
XLogP4.41
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 38135888) is 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccs2)nn1Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is ZFIZQPXBYHEYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-19-21(20-18(24-19)17-11-6-12-25-17)13-14-7-4-5-10-16(14)23-15-8-2-1-3-9-15/h1-12H,13H2.
What are the key properties of 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 350.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenoxyphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 38135888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).