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

C14H10BrN3O3 — CID 106853073

IUPAC2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide
SMILESCc1noc(-c2ccccc2NC(=O)c2ccoc2Br)n1
InChIInChI=1S/C14H10BrN3O3/c1-8-16-14(21-18-8)9-4-2-3-5-11(9)17-13(19)10-6-7-20-12(10)15/h2-7H,1H3,(H,17,19)
InChIKeyCNAIOJARYQVBEQ-UHFFFAOYSA-N
MW348.16 g/mol
LogP3.65
Rot. Bonds3

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

2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide (PubChem CID 106853073) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide
PubChem CID106853073
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide
SMILESCc1noc(-c2ccccc2NC(=O)c2ccoc2Br)n1
InChIInChI=1S/C14H10BrN3O3/c1-8-16-14(21-18-8)9-4-2-3-5-11(9)17-13(19)10-6-7-20-12(10)15/h2-7H,1H3,(H,17,19)
InChIKeyCNAIOJARYQVBEQ-UHFFFAOYSA-N
XLogP3.65
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30332842
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
2-bromo-N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329560
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
2-bromo-N-(2-iodophenyl)furan-3-carboxamide
CID 106852274
2-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 103028833
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide
CID 106854138
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168606681
2-bromo-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747821
3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330712
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methoxybenzamide
CID 30330455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide (CID 106853073) is 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide is Cc1noc(-c2ccccc2NC(=O)c2ccoc2Br)n1.
What is the InChIKey of 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide?
The InChIKey is CNAIOJARYQVBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c1-8-16-14(21-18-8)9-4-2-3-5-11(9)17-13(19)10-6-7-20-12(10)15/h2-7H,1H3,(H,17,19).
What are the key properties of 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide?
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide has a molecular weight of 348.16 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106853073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).