N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide

C17H17N3O2S — CID 53042277

IUPACN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccc(C)cc3)c(C)s2)no1
InChIInChI=1S/C17H17N3O2S/c1-4-15-19-16(20-22-15)14-9-13(11(3)23-14)18-17(21)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,18,21)
InChIKeyFRJCXDNLWQIUDW-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.23
Rot. Bonds4

About N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide

N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide (PubChem CID 53042277) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
PubChem CID53042277
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccc(C)cc3)c(C)s2)no1
InChIInChI=1S/C17H17N3O2S/c1-4-15-19-16(20-22-15)14-9-13(11(3)23-14)18-17(21)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,18,21)
InChIKeyFRJCXDNLWQIUDW-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide (CID 53042277) is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide is CCc1nc(-c2cc(NC(=O)c3ccc(C)cc3)c(C)s2)no1.
What is the InChIKey of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The InChIKey is FRJCXDNLWQIUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-4-15-19-16(20-22-15)14-9-13(11(3)23-14)18-17(21)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,18,21).
What are the key properties of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide is sourced from PubChem (CID 53042277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).