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

C14H10BrN3O3 — CID 1251663

IUPAC5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O3/c15-11-7-6-10(20-11)14(19)16-8-12-17-13(18-21-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)
InChIKeyOKLBKAHIDBDNSB-UHFFFAOYSA-N
MW348.16 g/mol
LogP3.02
Rot. Bonds4

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

5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 1251663) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
PubChem CID1251663
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O3/c15-11-7-6-10(20-11)14(19)16-8-12-17-13(18-21-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)
InChIKeyOKLBKAHIDBDNSB-UHFFFAOYSA-N
XLogP3.02
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide (CID 1251663) is 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is OKLBKAHIDBDNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-11-7-6-10(20-11)14(19)16-8-12-17-13(18-21-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19).
What are the key properties of 5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 348.16 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 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]furan-2-carboxamide is sourced from PubChem (CID 1251663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).