N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide

C14H9BrN2O2 — CID 110388234

IUPACN-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc2ocnc2c1
InChIInChI=1S/C14H9BrN2O2/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-13-12(7-9)16-8-19-13/h1-8H,(H,17,18)
InChIKeyMPCBUAUUPRXVNT-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.84
Rot. Bonds2

About N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide

N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 110388234) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID110388234
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC NameN-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc2ocnc2c1
InChIInChI=1S/C14H9BrN2O2/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-13-12(7-9)16-8-19-13/h1-8H,(H,17,18)
InChIKeyMPCBUAUUPRXVNT-UHFFFAOYSA-N
XLogP3.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765134
N-tert-butyl-1,3-benzoxazole-5-carboxamide
CID 110388151
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
4-amino-N-(2-bromophenyl)-3-iodobenzamide
CID 112750750
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzoxazole-5-carboxamide
CID 108811668

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide (CID 110388234) is N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide is O=C(Nc1ccccc1Br)c1ccc2ocnc2c1.
What is the InChIKey of N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is MPCBUAUUPRXVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-13-12(7-9)16-8-19-13/h1-8H,(H,17,18).
What are the key properties of N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide?
N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 317.14 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).