4-methyl-3-phenyl-1,4-oxazepane

C12H17NO — CID 144722829

IUPAC4-methyl-3-phenyl-1,4-oxazepane
SMILESCN1CCCOCC1c1ccccc1
InChIInChI=1S/C12H17NO/c1-13-8-5-9-14-10-12(13)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyBKVAGHBHTZMSHN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds1

About 4-methyl-3-phenyl-1,4-oxazepane

4-methyl-3-phenyl-1,4-oxazepane (PubChem CID 144722829) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1,4-oxazepane.

Molecular Properties

Compound Name4-methyl-3-phenyl-1,4-oxazepane
PubChem CID144722829
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-methyl-3-phenyl-1,4-oxazepane
SMILESCN1CCCOCC1c1ccccc1
InChIInChI=1S/C12H17NO/c1-13-8-5-9-14-10-12(13)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyBKVAGHBHTZMSHN-UHFFFAOYSA-N
XLogP2.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-phenyl-1,4-oxazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-phenyl-1,3-oxazolidine
CID 19920145
1-methyl-2-phenylazepane
CID 23447707
3-phenyl-4-sulfanylmorpholine
CID 126759957
1-methyl-2-phenylazetidine
CID 576373
(3R)-3,4-diphenylmorpholine
CID 22860790
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
4-methyl-5-(methylsulfanylmethyl)-6-phenyl-1,4-oxazepane
CID 67123286
3-(4-methoxy-1,4-oxazepan-3-yl)benzoic acid
CID 175088791
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
CID 71409526
(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
CID 14874965

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-1,4-oxazepane?
The IUPAC name of 4-methyl-3-phenyl-1,4-oxazepane (CID 144722829) is 4-methyl-3-phenyl-1,4-oxazepane.
What is the SMILES notation for 4-methyl-3-phenyl-1,4-oxazepane?
The canonical SMILES for 4-methyl-3-phenyl-1,4-oxazepane is CN1CCCOCC1c1ccccc1.
What is the InChIKey of 4-methyl-3-phenyl-1,4-oxazepane?
The InChIKey is BKVAGHBHTZMSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-5-9-14-10-12(13)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3.
What are the key properties of 4-methyl-3-phenyl-1,4-oxazepane?
4-methyl-3-phenyl-1,4-oxazepane has a molecular weight of 191.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1,4-oxazepane is sourced from PubChem (CID 144722829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).