N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C15H12BrN3O2S — CID 33172541

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)NCc3ccc(Br)s3)cc2)n1
InChIInChI=1S/C15H12BrN3O2S/c1-9-18-15(21-19-9)11-4-2-10(3-5-11)14(20)17-8-12-6-7-13(16)22-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyKTOHTANFXAYCNF-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.80
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 33172541) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID33172541
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)NCc3ccc(Br)s3)cc2)n1
InChIInChI=1S/C15H12BrN3O2S/c1-9-18-15(21-19-9)11-4-2-10(3-5-11)14(20)17-8-12-6-7-13(16)22-12/h2-7H,8H2,1H3,(H,17,20)
InChIKeyKTOHTANFXAYCNF-UHFFFAOYSA-N
XLogP3.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991282
N-(2-ethyl-2-hydroxybutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 111463535
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 43728545
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531
N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 32776912
N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 33295313
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 134001912

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 33172541) is N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)NCc3ccc(Br)s3)cc2)n1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is KTOHTANFXAYCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c1-9-18-15(21-19-9)11-4-2-10(3-5-11)14(20)17-8-12-6-7-13(16)22-12/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 378.25 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 33172541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).