4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C16H15N3O3S — CID 2104512

IUPAC4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10(2)21-12-7-5-11(6-8-12)14(20)17-16-19-18-15(22-16)13-4-3-9-23-13/h3-10H,1-2H3,(H,17,19,20)
InChIKeyMEECQVFAHDYNNP-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.84
Rot. Bonds5

About 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2104512) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2104512
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O3S/c1-10(2)21-12-7-5-11(6-8-12)14(20)17-16-19-18-15(22-16)13-4-3-9-23-13/h3-10H,1-2H3,(H,17,19,20)
InChIKeyMEECQVFAHDYNNP-UHFFFAOYSA-N
XLogP3.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 2104512) is 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CC(C)Oc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MEECQVFAHDYNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10(2)21-12-7-5-11(6-8-12)14(20)17-16-19-18-15(22-16)13-4-3-9-23-13/h3-10H,1-2H3,(H,17,19,20).
What are the key properties of 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 329.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2104512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).