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

C16H15N3O2S — CID 53042299

IUPACN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccccc3)c(C)s2)no1
InChIInChI=1S/C16H15N3O2S/c1-3-14-18-15(19-21-14)13-9-12(10(2)22-13)17-16(20)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyBXIIAZIKVZIQDN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.92
Rot. Bonds4

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

N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide (PubChem CID 53042299) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
PubChem CID53042299
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
SMILESCCc1nc(-c2cc(NC(=O)c3ccccc3)c(C)s2)no1
InChIInChI=1S/C16H15N3O2S/c1-3-14-18-15(19-21-14)13-9-12(10(2)22-13)17-16(20)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyBXIIAZIKVZIQDN-UHFFFAOYSA-N
XLogP3.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
CID 53078627
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078633
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 53042262
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 53042261
4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53078613
N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide
CID 53042331
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]thiophene-2-carboxamide
CID 53093367
3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53042243
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042355
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]pyridine-4-carboxamide
CID 53042375
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(dimethylamino)benzamide
CID 53042315
N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 53078605

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide?
The IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide (CID 53042299) is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide.
What is the SMILES notation for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide?
The canonical SMILES for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide is CCc1nc(-c2cc(NC(=O)c3ccccc3)c(C)s2)no1.
What is the InChIKey of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide?
The InChIKey is BXIIAZIKVZIQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-3-14-18-15(19-21-14)13-9-12(10(2)22-13)17-16(20)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,17,20).
What are the key properties of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide?
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide has a molecular weight of 313.38 g/mol, XLogP of 3.92, 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]benzamide is sourced from PubChem (CID 53042299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).