4-benzyl-1,4-oxazepan-3-one

C12H15NO2 — CID 46318286

IUPAC4-benzyl-1,4-oxazepan-3-one
SMILESO=C1COCCCN1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12-10-15-8-4-7-13(12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyJQTFNRBQFFGXJY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds2

About 4-benzyl-1,4-oxazepan-3-one

4-benzyl-1,4-oxazepan-3-one (PubChem CID 46318286) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-benzyl-1,4-oxazepan-3-one.

Molecular Properties

Compound Name4-benzyl-1,4-oxazepan-3-one
PubChem CID46318286
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-benzyl-1,4-oxazepan-3-one
SMILESO=C1COCCCN1Cc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12-10-15-8-4-7-13(12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyJQTFNRBQFFGXJY-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
CID 79468522
4-[(3-aminophenyl)methyl]morpholin-3-one
CID 79468791
[4-[(3-oxomorpholin-4-yl)methyl]phenyl]boronic acid
CID 155710289
3-[(3-oxomorpholin-4-yl)methyl]benzonitrile
CID 79468539
4-benzyl-3-methyl-6,7-dihydro-5H-1,4-oxazepine
CID 86093974
5-benzyl-1,4,5-oxathiazocane 4,4-dioxide
CID 24816470
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
1-benzylpyrrolidin-2-one;methyl formate
CID 143754063
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632
4-benzyl-5H-1,4-benzoxazepin-3-one
CID 22665722

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,4-oxazepan-3-one?
The IUPAC name of 4-benzyl-1,4-oxazepan-3-one (CID 46318286) is 4-benzyl-1,4-oxazepan-3-one.
What is the SMILES notation for 4-benzyl-1,4-oxazepan-3-one?
The canonical SMILES for 4-benzyl-1,4-oxazepan-3-one is O=C1COCCCN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1,4-oxazepan-3-one?
The InChIKey is JQTFNRBQFFGXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12-10-15-8-4-7-13(12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 4-benzyl-1,4-oxazepan-3-one?
4-benzyl-1,4-oxazepan-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,4-oxazepan-3-one is sourced from PubChem (CID 46318286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).