2-(2-methylphenyl)-1,4-oxazepane

C12H17NO — CID 43498424

IUPAC2-(2-methylphenyl)-1,4-oxazepane
SMILESCc1ccccc1C1CNCCCO1
InChIInChI=1S/C12H17NO/c1-10-5-2-3-6-11(10)12-9-13-7-4-8-14-12/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKeyAVLYZNQHCXRQJT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.05
Rot. Bonds1

About 2-(2-methylphenyl)-1,4-oxazepane

2-(2-methylphenyl)-1,4-oxazepane (PubChem CID 43498424) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1,4-oxazepane.

Molecular Properties

Compound Name2-(2-methylphenyl)-1,4-oxazepane
PubChem CID43498424
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-methylphenyl)-1,4-oxazepane
SMILESCc1ccccc1C1CNCCCO1
InChIInChI=1S/C12H17NO/c1-10-5-2-3-6-11(10)12-9-13-7-4-8-14-12/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKeyAVLYZNQHCXRQJT-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
ethane;3-(2-methylphenyl)piperidine
CID 144655647
2-methyl-6-(2-methylphenyl)morpholine
CID 43367022
2-(2-methylquinazolin-4-yl)-1,4-oxazepane
CID 82664516
3-methyl-4-morpholin-2-ylphenol
CID 67032452
2-morpholin-2-ylbenzonitrile;hydrochloride
CID 77492763
2-[2-(1,1-difluoroethyl)phenyl]morpholine
CID 117326792
2-(7-chloro-1-methylindol-3-yl)-1,4-oxazepane
CID 82667090
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
2-(2-methylpyrazol-3-yl)-1,4-oxazepane
CID 130791824
5-methyl-2-(2-methylphenyl)-5-phenylmorpholine
CID 105058730
[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 124778318

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1,4-oxazepane?
The IUPAC name of 2-(2-methylphenyl)-1,4-oxazepane (CID 43498424) is 2-(2-methylphenyl)-1,4-oxazepane.
What is the SMILES notation for 2-(2-methylphenyl)-1,4-oxazepane?
The canonical SMILES for 2-(2-methylphenyl)-1,4-oxazepane is Cc1ccccc1C1CNCCCO1.
What is the InChIKey of 2-(2-methylphenyl)-1,4-oxazepane?
The InChIKey is AVLYZNQHCXRQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-5-2-3-6-11(10)12-9-13-7-4-8-14-12/h2-3,5-6,12-13H,4,7-9H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1,4-oxazepane?
2-(2-methylphenyl)-1,4-oxazepane has a molecular weight of 191.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1,4-oxazepane is sourced from PubChem (CID 43498424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).