2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone

C22H27N3O2 — CID 58155297

IUPAC2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone
SMILESCCCCc1ccc(C(=O)Cc2cccc(C3(C)COCC(N)=N3)c2)nc1
InChIInChI=1S/C22H27N3O2/c1-3-4-6-16-9-10-19(24-13-16)20(26)12-17-7-5-8-18(11-17)22(2)15-27-14-21(23)25-22/h5,7-11,13H,3-4,6,12,14-15H2,1-2H3,(H2,23,25)
InChIKeyZZUBMWJOWFLWGW-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.45
Rot. Bonds7

About 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone

2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone (PubChem CID 58155297) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone
PubChem CID58155297
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone
SMILESCCCCc1ccc(C(=O)Cc2cccc(C3(C)COCC(N)=N3)c2)nc1
InChIInChI=1S/C22H27N3O2/c1-3-4-6-16-9-10-19(24-13-16)20(26)12-17-7-5-8-18(11-17)22(2)15-27-14-21(23)25-22/h5,7-11,13H,3-4,6,12,14-15H2,1-2H3,(H2,23,25)
InChIKeyZZUBMWJOWFLWGW-UHFFFAOYSA-N
XLogP3.45
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-chlorothiophen-2-yl)ethanone
CID 58155275
2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-1-(5-pentylpyrazin-2-yl)ethanone
CID 147418935
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 50991585
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-methylpyridine-2-carboxamide
CID 50914251
2-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-[5-(difluoromethoxy)-2-pyridinyl]ethanone
CID 58155279
(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57495971
5-methyl-5-[3-(quinolin-8-ylmethyl)phenyl]-2,6-dihydro-1,4-oxazin-3-amine;hydrochloride
CID 160876166
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-bromopyridine-2-carboxamide;hydrochloride
CID 66665851
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-butylpyridine-2-carboxamide
CID 71083474
2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]phenyl]-1-(5-chloro-2-pyridinyl)ethanone
CID 58304201
1-[5-(4-aminobutyl)pyrazin-2-yl]-2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]ethanone
CID 160999318
2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)ethanone
CID 58155324

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone?
The IUPAC name of 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone (CID 58155297) is 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone is CCCCc1ccc(C(=O)Cc2cccc(C3(C)COCC(N)=N3)c2)nc1.
What is the InChIKey of 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone?
The InChIKey is ZZUBMWJOWFLWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-4-6-16-9-10-19(24-13-16)20(26)12-17-7-5-8-18(11-17)22(2)15-27-14-21(23)25-22/h5,7-11,13H,3-4,6,12,14-15H2,1-2H3,(H2,23,25).
What are the key properties of 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone?
2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone has a molecular weight of 365.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-1-(5-butyl-2-pyridinyl)ethanone is sourced from PubChem (CID 58155297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).