5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide

C22H13BrN2O3 — CID 1142575

IUPAC5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(Br)o1
InChIInChI=1S/C22H13BrN2O3/c23-20-11-10-19(27-20)21(26)24-14-8-9-18-17(12-14)25-22(28-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H,(H,24,26)
InChIKeyCXUVEXVCUWHDPE-UHFFFAOYSA-N
MW433.26 g/mol
LogP6.26
Rot. Bonds3

About 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide

5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (PubChem CID 1142575) has the molecular formula C22H13BrN2O3 and a molecular weight of 433.26 g/mol. Its IUPAC name is 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
PubChem CID1142575
Molecular FormulaC22H13BrN2O3
Molecular Weight433.26 g/mol
Exact Mass432.01
IUPAC Name5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(Br)o1
InChIInChI=1S/C22H13BrN2O3/c23-20-11-10-19(27-20)21(26)24-14-8-9-18-17(12-14)25-22(28-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H,(H,24,26)
InChIKeyCXUVEXVCUWHDPE-UHFFFAOYSA-N
XLogP6.26
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.26
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1361589
N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
CID 3117204
3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
CID 3556146
[2-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl] thiocyanate
CID 91683582
2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
CID 4595683
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135655007
5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23820161
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 2840256
2,3,5,6-tetrafluoro-4-methoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 17316597
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-(phenoxymethyl)benzamide
CID 21213245
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-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide (CID 1142575) is 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
The InChIKey is CXUVEXVCUWHDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2O3/c23-20-11-10-19(27-20)21(26)24-14-8-9-18-17(12-14)25-22(28-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H,(H,24,26).
What are the key properties of 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide?
5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide has a molecular weight of 433.26 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 1142575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).