5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide

C17H16BrN3O3 — CID 2055188

IUPAC5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C17H16BrN3O3/c1-11(2)21(17(22)13-8-9-14(18)23-13)10-15-19-16(20-24-15)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyZVEDJZSOPARSKN-UHFFFAOYSA-N
MW390.24 g/mol
LogP4.14
Rot. Bonds5

About 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide

5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 2055188) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID2055188
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C17H16BrN3O3/c1-11(2)21(17(22)13-8-9-14(18)23-13)10-15-19-16(20-24-15)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyZVEDJZSOPARSKN-UHFFFAOYSA-N
XLogP4.14
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 8875029
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 8836130
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 17020197
[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylcarbamoyl]phenyl] acetate
CID 2994652
2-chloro-4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 17020222
4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2977160
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-N-propan-2-ylbenzamide
CID 17358753
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-phenylphenoxy)-N-propan-2-ylacetamide
CID 71663676
4-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2997308
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]butanamide
CID 134213043

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide (CID 2055188) is 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is ZVEDJZSOPARSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-11(2)21(17(22)13-8-9-14(18)23-13)10-15-19-16(20-24-15)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide?
5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 390.24 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 2055188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).