N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide

C21H21BrN2O2 — CID 66578409

IUPACN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1c(C)noc1-c1ccc(Br)cc1
InChIInChI=1S/C21H21BrN2O2/c1-15-20(21(26-23-15)18-8-10-19(22)11-9-18)14-24(16(2)25)13-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3
InChIKeyZFALYUZWPGAZTJ-UHFFFAOYSA-N
MW413.32 g/mol
LogP5.00
Rot. Bonds6

About N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide

N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide (PubChem CID 66578409) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide
PubChem CID66578409
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC NameN-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CCc1ccccc1)Cc1c(C)noc1-c1ccc(Br)cc1
InChIInChI=1S/C21H21BrN2O2/c1-15-20(21(26-23-15)18-8-10-19(22)11-9-18)14-24(16(2)25)13-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3
InChIKeyZFALYUZWPGAZTJ-UHFFFAOYSA-N
XLogP5.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
CID 66578224
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-methyloctan-1-amine
CID 66581231
5-(4-bromophenyl)-3-methyl-4-(4-phenylbut-1-enyl)-1,2-oxazole
CID 66578468
5-(4-bromophenyl)-3-methyl-4-[(E)-4-phenylbut-1-enyl]-1,2-oxazole
CID 66578467
2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 66578516
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)butanamide
CID 123973953
5-(4-bromophenyl)-3-methyl-4-prop-2-enyl-1,2-oxazole
CID 66577235
2-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 66579316
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
2-benzyl-5-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1,3,4-oxadiazole
CID 66577754
4-(2,2-difluoro-4-phenylbutyl)-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
CID 141295977

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide (CID 66578409) is N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide is CC(=O)N(CCc1ccccc1)Cc1c(C)noc1-c1ccc(Br)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is ZFALYUZWPGAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c1-15-20(21(26-23-15)18-8-10-19(22)11-9-18)14-24(16(2)25)13-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3.
What are the key properties of N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide?
N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 413.32 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 66578409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).