N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide

C12H12BrN3O2 — CID 109010783

IUPACN-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2Br)no1
InChIInChI=1S/C12H12BrN3O2/c1-8-6-11(16-18-8)14-7-12(17)15-10-5-3-2-4-9(10)13/h2-6H,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyTXLIXQDFRMSQLU-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.80
Rot. Bonds4

About N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide

N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide (PubChem CID 109010783) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
PubChem CID109010783
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2Br)no1
InChIInChI=1S/C12H12BrN3O2/c1-8-6-11(16-18-8)14-7-12(17)15-10-5-3-2-4-9(10)13/h2-6H,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyTXLIXQDFRMSQLU-UHFFFAOYSA-N
XLogP2.80
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109009181
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 109011291
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270417
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide
CID 75517137
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062
2-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109011324

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide (CID 109010783) is N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide is Cc1cc(NCC(=O)Nc2ccccc2Br)no1.
What is the InChIKey of N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide?
The InChIKey is TXLIXQDFRMSQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-8-6-11(16-18-8)14-7-12(17)15-10-5-3-2-4-9(10)13/h2-6H,7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide?
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide has a molecular weight of 310.15 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide is sourced from PubChem (CID 109010783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).