5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide

C18H18BrN3O3 — CID 8875029

IUPAC5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESCC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C18H18BrN3O3/c1-18(2,3)22(17(23)13-9-10-14(19)24-13)11-15-20-16(21-25-15)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyZSQWKPRWELMLLE-UHFFFAOYSA-N
MW404.26 g/mol
LogP4.53
Rot. Bonds4

About 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide

5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 8875029) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
PubChem CID8875029
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC Name5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESCC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C18H18BrN3O3/c1-18(2,3)22(17(23)13-9-10-14(19)24-13)11-15-20-16(21-25-15)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyZSQWKPRWELMLLE-UHFFFAOYSA-N
XLogP4.53
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 2055188
N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 6485271
(2S)-N-tert-butyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 40963684
1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 7693886
N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874661
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
4-tert-butyl-N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8835704
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)acetic acid
CID 7017713

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (CID 8875029) is 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is ZSQWKPRWELMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-18(2,3)22(17(23)13-9-10-14(19)24-13)11-15-20-16(21-25-15)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 404.26 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 8875029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).