N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C16H11BrN2O3 — CID 135573197

IUPACN-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2O)on1
InChIInChI=1S/C16H11BrN2O3/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(22-19-13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,21)
InChIKeyMAAOJPIKAWNXPU-UHFFFAOYSA-N
MW359.18 g/mol
LogP4.06
Rot. Bonds3

About N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 135573197) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID135573197
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC NameN-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2O)on1
InChIInChI=1S/C16H11BrN2O3/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(22-19-13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,21)
InChIKeyMAAOJPIKAWNXPU-UHFFFAOYSA-N
XLogP4.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37342518
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573171
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
N,5-bis(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 52904677
N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 15995144
N-[4-(furan-2-carbonylamino)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51327615
N-(3-hydroxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093722

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 135573197) is N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2O)on1.
What is the InChIKey of N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MAAOJPIKAWNXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c17-10-5-7-11(8-6-10)18-16(21)13-9-15(22-19-13)12-3-1-2-4-14(12)20/h1-9,20H,(H,18,21).
What are the key properties of N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 359.18 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135573197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).