2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane

C12H18N2O2 — CID 177322364

IUPAC2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane
SMILESCOc1cc(C2CN(C)CCCO2)ccn1
InChIInChI=1S/C12H18N2O2/c1-14-6-3-7-16-11(9-14)10-4-5-13-12(8-10)15-2/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyFRXXCJGLAKXHPX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.48
Rot. Bonds2

About 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane

2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane (PubChem CID 177322364) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane
PubChem CID177322364
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane
SMILESCOc1cc(C2CN(C)CCCO2)ccn1
InChIInChI=1S/C12H18N2O2/c1-14-6-3-7-16-11(9-14)10-4-5-13-12(8-10)15-2/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyFRXXCJGLAKXHPX-UHFFFAOYSA-N
XLogP1.48
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methoxy-4-pyridinyl)-4-methylmorpholine
CID 177322318
2-(2-methoxy-4-pyridinyl)-4-methylmorpholine
CID 177322257
2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 87036072
2-bromo-4-(oxolan-2-yl)pyridine
CID 66521048
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-bromo-4-(oxan-2-yl)pyridine
CID 130132081
3-(2-methoxy-4-pyridinyl)cyclobutan-1-amine
CID 118049997
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95560815
2-fluoro-4-(oxolan-2-yl)pyridine
CID 154715246
3-(4-methylmorpholin-2-yl)aniline
CID 82275083
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane (CID 177322364) is 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane is COc1cc(C2CN(C)CCCO2)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane?
The InChIKey is FRXXCJGLAKXHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-6-3-7-16-11(9-14)10-4-5-13-12(8-10)15-2/h4-5,8,11H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane?
2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane has a molecular weight of 222.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane is sourced from PubChem (CID 177322364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).