3-(2-chlorophenyl)-1,4-oxazepane

C11H14ClNO — CID 131296603

IUPAC3-(2-chlorophenyl)-1,4-oxazepane
SMILESClc1ccccc1C1COCCCN1
InChIInChI=1S/C11H14ClNO/c12-10-5-2-1-4-9(10)11-8-14-7-3-6-13-11/h1-2,4-5,11,13H,3,6-8H2
InChIKeyMVOQAPFEFOSVCA-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.39
Rot. Bonds1

About 3-(2-chlorophenyl)-1,4-oxazepane

3-(2-chlorophenyl)-1,4-oxazepane (PubChem CID 131296603) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,4-oxazepane.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,4-oxazepane
PubChem CID131296603
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-(2-chlorophenyl)-1,4-oxazepane
SMILESClc1ccccc1C1COCCCN1
InChIInChI=1S/C11H14ClNO/c12-10-5-2-1-4-9(10)11-8-14-7-3-6-13-11/h1-2,4-5,11,13H,3,6-8H2
InChIKeyMVOQAPFEFOSVCA-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-1,4-thiazepane
CID 66217043
N-[4-chloro-3-[(3R)-1,4-oxazepan-3-yl]phenyl]acetamide
CID 175704077
2-morpholin-3-ylphenol
CID 55294349
3-(2,5-dichlorophenyl)morpholine
CID 126971180
3-(2-pyrrolidin-1-ylphenyl)morpholine
CID 82619779
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
3-(2-chlorophenyl)-1,4-thiazepane 1,1-dioxide
CID 66217551
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
(2R)-2-[3-chloro-4-(1,4-oxazepan-3-yl)phenoxy]propan-1-ol
CID 146193835
3-(3-chloro-4-pyridinyl)morpholine
CID 55273452
3-(6-chloroquinolin-4-yl)-1,4-oxazepane
CID 82666518
(3R)-3-naphthalen-1-ylmorpholine;hydrochloride
CID 171192824

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,4-oxazepane?
The IUPAC name of 3-(2-chlorophenyl)-1,4-oxazepane (CID 131296603) is 3-(2-chlorophenyl)-1,4-oxazepane.
What is the SMILES notation for 3-(2-chlorophenyl)-1,4-oxazepane?
The canonical SMILES for 3-(2-chlorophenyl)-1,4-oxazepane is Clc1ccccc1C1COCCCN1.
What is the InChIKey of 3-(2-chlorophenyl)-1,4-oxazepane?
The InChIKey is MVOQAPFEFOSVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-5-2-1-4-9(10)11-8-14-7-3-6-13-11/h1-2,4-5,11,13H,3,6-8H2.
What are the key properties of 3-(2-chlorophenyl)-1,4-oxazepane?
3-(2-chlorophenyl)-1,4-oxazepane has a molecular weight of 211.69 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,4-oxazepane is sourced from PubChem (CID 131296603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).