N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide

C19H18BrN3O2 — CID 24765670

IUPACN-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
SMILESCc1oncc1-c1ccc(CC(=O)N[C@H](C)c2ccc(Br)cn2)cc1
InChIInChI=1S/C19H18BrN3O2/c1-12(18-8-7-16(20)10-21-18)23-19(24)9-14-3-5-15(6-4-14)17-11-22-25-13(17)2/h3-8,10-12H,9H2,1-2H3,(H,23,24)/t12-/m1/s1
InChIKeyGNCAJYZODJEDCB-GFCCVEGCSA-N
MW400.28 g/mol
LogP4.23
Rot. Bonds5

About N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide

N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide (PubChem CID 24765670) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
PubChem CID24765670
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC NameN-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
SMILESCc1oncc1-c1ccc(CC(=O)N[C@H](C)c2ccc(Br)cn2)cc1
InChIInChI=1S/C19H18BrN3O2/c1-12(18-8-7-16(20)10-21-18)23-19(24)9-14-3-5-15(6-4-14)17-11-22-25-13(17)2/h3-8,10-12H,9H2,1-2H3,(H,23,24)/t12-/m1/s1
InChIKeyGNCAJYZODJEDCB-GFCCVEGCSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[1-(5-ethenyl-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
CID 91098957
(4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one
CID 58255197
N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide
CID 24764922
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
1-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 125139850
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
CID 53321010
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
CID 24764921
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 76655372
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 74819774
2-(4-isoquinolin-4-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610201
2-(4-quinoxalin-5-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 42610263
N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 74827168

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide (CID 24765670) is N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide is Cc1oncc1-c1ccc(CC(=O)N[C@H](C)c2ccc(Br)cn2)cc1.
What is the InChIKey of N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide?
The InChIKey is GNCAJYZODJEDCB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-12(18-8-7-16(20)10-21-18)23-19(24)9-14-3-5-15(6-4-14)17-11-22-25-13(17)2/h3-8,10-12H,9H2,1-2H3,(H,23,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide?
N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide has a molecular weight of 400.28 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 24765670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).