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

C17H10BrN3O3 — CID 29127725

IUPAC5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O3/c18-15-6-5-14(23-15)16(22)20-11-3-1-10(2-4-11)17-21-12-9-19-8-7-13(12)24-17/h1-9H,(H,20,22)
InChIKeyHPRCEOQZNWLKOP-UHFFFAOYSA-N
MW384.19 g/mol
LogP4.50
Rot. Bonds3

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

5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 29127725) has the molecular formula C17H10BrN3O3 and a molecular weight of 384.19 g/mol. Its IUPAC name is 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
PubChem CID29127725
Molecular FormulaC17H10BrN3O3
Molecular Weight384.19 g/mol
Exact Mass382.99
IUPAC Name5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O3/c18-15-6-5-14(23-15)16(22)20-11-3-1-10(2-4-11)17-21-12-9-19-8-7-13(12)24-17/h1-9H,(H,20,22)
InChIKeyHPRCEOQZNWLKOP-UHFFFAOYSA-N
XLogP4.50
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135655007
N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 39311457
5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 1333568
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
5-bromo-N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 39867589
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 29130005
5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 1142575
methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate
CID 66864810
5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 60729952
5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1361589

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide (CID 29127725) is 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is HPRCEOQZNWLKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O3/c18-15-6-5-14(23-15)16(22)20-11-3-1-10(2-4-11)17-21-12-9-19-8-7-13(12)24-17/h1-9H,(H,20,22).
What are the key properties of 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 384.19 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 29127725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).