2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide

C14H7BrCl2N2O2 — CID 50849580

IUPAC2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1
InChIInChI=1S/C14H7BrCl2N2O2/c15-12-8(16)3-7(4-9(12)17)14-19-10-5-6(13(18)20)1-2-11(10)21-14/h1-5H,(H2,18,20)
InChIKeyOJQKITVIRJMKTD-UHFFFAOYSA-N
MW386.03 g/mol
LogP4.66
Rot. Bonds2

About 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide

2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 50849580) has the molecular formula C14H7BrCl2N2O2 and a molecular weight of 386.03 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID50849580
Molecular FormulaC14H7BrCl2N2O2
Molecular Weight386.03 g/mol
Exact Mass383.91
IUPAC Name2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1
InChIInChI=1S/C14H7BrCl2N2O2/c15-12-8(16)3-7(4-9(12)17)14-19-10-5-6(13(18)20)1-2-11(10)21-14/h1-5H,(H2,18,20)
InChIKeyOJQKITVIRJMKTD-UHFFFAOYSA-N
XLogP4.66
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.03
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole-5-carbonyl chloride
CID 50849570
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole-5-carboxylic acid
CID 50849557
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
2-(5-bromo-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358149
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
3-(6-bromo-1,3-benzoxazol-2-yl)benzamide
CID 23025706
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
4-(5-amino-1,3-benzoxazol-2-yl)benzoic acid
CID 45361799
1-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 95474684
2-(2,4-dichlorophenyl)-1,3-benzoxazole-5-carbonyl chloride
CID 91681335
prop-2-ynyl 2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxylate
CID 95909349

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide (CID 50849580) is 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide is NC(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1.
What is the InChIKey of 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is OJQKITVIRJMKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O2/c15-12-8(16)3-7(4-9(12)17)14-19-10-5-6(13(18)20)1-2-11(10)21-14/h1-5H,(H2,18,20).
What are the key properties of 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide?
2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 386.03 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dichlorophenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 50849580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).