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

C17H13BrN2O3 — CID 17252843

IUPACN-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C17H13BrN2O3/c1-22-14-8-2-11(3-9-14)16-10-15(20-23-16)17(21)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)
InChIKeyGWHUUGGCQKKIFH-UHFFFAOYSA-N
MW373.21 g/mol
LogP4.36
Rot. Bonds4

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

N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17252843) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID17252843
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC NameN-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C17H13BrN2O3/c1-22-14-8-2-11(3-9-14)16-10-15(20-23-16)17(21)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21)
InChIKeyGWHUUGGCQKKIFH-UHFFFAOYSA-N
XLogP4.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
5-(4-bromophenyl)-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-1,2-oxazole-3-carboxamide
CID 110210584
3-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805521
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
5-(4-chlorophenyl)-N-(7-methoxyquinolin-3-yl)-1,2-oxazole-3-carboxamide
CID 95744974
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(4-bromophenyl)-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573197

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 17252843) is N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GWHUUGGCQKKIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-22-14-8-2-11(3-9-14)16-10-15(20-23-16)17(21)19-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).