N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide

C18H15BrN2O2 — CID 46482012

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H15BrN2O2/c1-21(12-14-9-5-6-10-15(14)19)18(22)17-11-16(20-23-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyQGBWJARHPNJZPJ-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.38
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide

N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 46482012) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID46482012
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C18H15BrN2O2/c1-21(12-14-9-5-6-10-15(14)19)18(22)17-11-16(20-23-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyQGBWJARHPNJZPJ-UHFFFAOYSA-N
XLogP4.38
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46481979
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 107202129
3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 46978542
N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide
CID 38044616
N-[(2-bromophenyl)methyl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 32812219
N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
CID 112726756
N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119584563
3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
CID 90202589
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107
methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 78885231
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 34867078

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide (CID 46482012) is N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is QGBWJARHPNJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-21(12-14-9-5-6-10-15(14)19)18(22)17-11-16(20-23-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide?
N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 371.23 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46482012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).