N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

C17H10BrN3O3 — CID 3736722

IUPACN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccco1
InChIInChI=1S/C17H10BrN3O3/c18-11-6-10(8-19-9-11)17-21-13-7-12(3-4-14(13)24-17)20-16(22)15-2-1-5-23-15/h1-9H,(H,20,22)
InChIKeyWCFSZXMXQRFAPO-UHFFFAOYSA-N
MW384.19 g/mol
LogP4.50
Rot. Bonds3

About N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 3736722) has the molecular formula C17H10BrN3O3 and a molecular weight of 384.19 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
PubChem CID3736722
Molecular FormulaC17H10BrN3O3
Molecular Weight384.19 g/mol
Exact Mass382.99
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccco1
InChIInChI=1S/C17H10BrN3O3/c18-11-6-10(8-19-9-11)17-21-13-7-12(3-4-14(13)24-17)20-16(22)15-2-1-5-23-15/h1-9H,(H,20,22)
InChIKeyWCFSZXMXQRFAPO-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

N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
CID 1256505
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
CID 2984861
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3442914
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide
CID 3875372
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 1397326
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1016768
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
CID 1422331
N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 39311457
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17117249
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17296967
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1397296
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
CID 3804335

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 3736722) is N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccco1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The InChIKey is WCFSZXMXQRFAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O3/c18-11-6-10(8-19-9-11)17-21-13-7-12(3-4-14(13)24-17)20-16(22)15-2-1-5-23-15/h1-9H,(H,20,22).
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]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 N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 3736722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).