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

C17H10BrN3O4 — CID 9319990

IUPAC5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O4/c18-14-7-6-12(24-14)15(22)19-11-4-1-3-10(9-11)16-20-21-17(25-16)13-5-2-8-23-13/h1-9H,(H,19,22)
InChIKeyLQOUXIOACDPYLJ-UHFFFAOYSA-N
MW400.19 g/mol
LogP4.60
Rot. Bonds4

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

5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide (PubChem CID 9319990) has the molecular formula C17H10BrN3O4 and a molecular weight of 400.19 g/mol. Its IUPAC name is 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
PubChem CID9319990
Molecular FormulaC17H10BrN3O4
Molecular Weight400.19 g/mol
Exact Mass398.99
IUPAC Name5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O4/c18-14-7-6-12(24-14)15(22)19-11-4-1-3-10(9-11)16-20-21-17(25-16)13-5-2-8-23-13/h1-9H,(H,19,22)
InChIKeyLQOUXIOACDPYLJ-UHFFFAOYSA-N
XLogP4.60
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.19
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-hydroxybenzamide
CID 142440239
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 146493872
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
methyl 2-[[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]benzoate
CID 146494289
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 146494133
3,5-dibromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxybenzamide
CID 135347274
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 142440079
3-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-2-carboxamide
CID 142440398
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 142440215
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-hydroxybenzamide
CID 142440315
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-propan-2-yloxybenzamide
CID 142440309
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide (CID 9319990) is 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is LQOUXIOACDPYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O4/c18-14-7-6-12(24-14)15(22)19-11-4-1-3-10(9-11)16-20-21-17(25-16)13-5-2-8-23-13/h1-9H,(H,19,22).
What are the key properties of 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 400.19 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9319990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).