5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol

C14H21NO2 — CID 55160022

IUPAC5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol
SMILESCC(O)CCCN1CCOc2ccccc2C1
InChIInChI=1S/C14H21NO2/c1-12(16)5-4-8-15-9-10-17-14-7-3-2-6-13(14)11-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyALIAYHJOEIGMFO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.04
Rot. Bonds4

About 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol

5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol (PubChem CID 55160022) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol
PubChem CID55160022
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol
SMILESCC(O)CCCN1CCOc2ccccc2C1
InChIInChI=1S/C14H21NO2/c1-12(16)5-4-8-15-9-10-17-14-7-3-2-6-13(14)11-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyALIAYHJOEIGMFO-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol 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

5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-2-amine
CID 63189420
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)hexan-2-amine
CID 63189422
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-1-amine
CID 63192695
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanehydrazide
CID 63585572
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpropan-2-amine
CID 63189675
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-methylphenyl)ethanol
CID 63192897
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine
CID 63192911
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine
CID 65247542
(2S)-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-amine
CID 112736679
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
2-amino-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylbutanamide
CID 63192985

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol?
The IUPAC name of 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol (CID 55160022) is 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol.
What is the SMILES notation for 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol?
The canonical SMILES for 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol is CC(O)CCCN1CCOc2ccccc2C1.
What is the InChIKey of 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol?
The InChIKey is ALIAYHJOEIGMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(16)5-4-8-15-9-10-17-14-7-3-2-6-13(14)11-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3.
What are the key properties of 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol?
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol is sourced from PubChem (CID 55160022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).