N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide

C18H16BrN3O2S — CID 41146905

IUPACN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C18H16BrN3O2S/c1-11(2)25-15-5-3-4-13(10-15)16(23)20-18-22-21-17(24-18)12-6-8-14(19)9-7-12/h3-11H,1-2H3,(H,20,22,23)
InChIKeyZCBSADMTNCLPBV-UHFFFAOYSA-N
MW418.32 g/mol
LogP5.25
Rot. Bonds5

About N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide

N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide (PubChem CID 41146905) has the molecular formula C18H16BrN3O2S and a molecular weight of 418.32 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
PubChem CID41146905
Molecular FormulaC18H16BrN3O2S
Molecular Weight418.32 g/mol
Exact Mass417.01
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1
InChIInChI=1S/C18H16BrN3O2S/c1-11(2)25-15-5-3-4-13(10-15)16(23)20-18-22-21-17(24-18)12-6-8-14(19)9-7-12/h3-11H,1-2H3,(H,20,22,23)
InChIKeyZCBSADMTNCLPBV-UHFFFAOYSA-N
XLogP5.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.32
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41147051
3-propan-2-ylsulfanyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41146715
N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 41228667
3,5-dimethoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228441
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 40957849
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 90602930
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 16821911
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 16821894

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide (CID 41146905) is N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide is CC(C)Sc1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The InChIKey is ZCBSADMTNCLPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2S/c1-11(2)25-15-5-3-4-13(10-15)16(23)20-18-22-21-17(24-18)12-6-8-14(19)9-7-12/h3-11H,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide has a molecular weight of 418.32 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 41146905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).