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

C11H9BrN2O2 — CID 61413770

IUPACN-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1Br)c1ccno1
InChIInChI=1S/C11H9BrN2O2/c12-9-4-2-1-3-8(9)7-13-11(15)10-5-6-14-16-10/h1-6H,7H2,(H,13,15)
InChIKeyMGJXXQGWMDKLEJ-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.37
Rot. Bonds3

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

N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 61413770) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID61413770
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC NameN-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1Br)c1ccno1
InChIInChI=1S/C11H9BrN2O2/c12-9-4-2-1-3-8(9)7-13-11(15)10-5-6-14-16-10/h1-6H,7H2,(H,13,15)
InChIKeyMGJXXQGWMDKLEJ-UHFFFAOYSA-N
XLogP2.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 110693577
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61410075
N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334349
N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 121172381
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 56886081
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
N-[(2-bromophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146681
4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687471
N-[(2-bromophenyl)methyl]-2-oxopropanamide
CID 110478310
N-[(2-bromophenyl)methyl]acetamide
CID 2824953

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide (CID 61413770) is N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1Br)c1ccno1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is MGJXXQGWMDKLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-9-4-2-1-3-8(9)7-13-11(15)10-5-6-14-16-10/h1-6H,7H2,(H,13,15).
What are the key properties of N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide?
N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 61413770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).