13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene

C14H15BN2O2 — CID 159548452

IUPAC13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene
SMILESCc1nc2[nH]ccc2c2c1OB(O)C=C2C1CCC1
InChIInChI=1S/C14H15BN2O2/c1-8-13-12(10-5-6-16-14(10)17-8)11(7-15(18)19-13)9-3-2-4-9/h5-7,9,18H,2-4H2,1H3,(H,16,17)
InChIKeyWMLISWISQSBOJQ-UHFFFAOYSA-N
MW254.10 g/mol
LogP2.47
Rot. Bonds1

About 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene

13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene (PubChem CID 159548452) has the molecular formula C14H15BN2O2 and a molecular weight of 254.10 g/mol. Its IUPAC name is 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene.

Molecular Properties

Compound Name13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene
PubChem CID159548452
Molecular FormulaC14H15BN2O2
Molecular Weight254.10 g/mol
Exact Mass254.12
IUPAC Name13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene
SMILESCc1nc2[nH]ccc2c2c1OB(O)C=C2C1CCC1
InChIInChI=1S/C14H15BN2O2/c1-8-13-12(10-5-6-16-14(10)17-8)11(7-15(18)19-13)9-3-2-4-9/h5-7,9,18H,2-4H2,1H3,(H,16,17)
InChIKeyWMLISWISQSBOJQ-UHFFFAOYSA-N
XLogP2.47
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene 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

11-hydroxy-8-methyl-13-(4-methylcyclohexyl)-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene
CID 159952963
11-hydroxy-13-(oxan-3-yl)-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene
CID 155724205
4-[4-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclohexyl]-3-oxobutanenitrile
CID 158722129
N-[3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]benzamide
CID 159389097
4-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879528
(4S)-N-ethyl-3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)-4-methylpiperidine-1-carboxamide
CID 155724150
1-[(3R,4S)-3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)-4-methylpiperidin-1-yl]butan-1-one
CID 155724202
2,4-difluoro-N-[3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]benzenesulfonamide
CID 163739287
N-(2,2-difluoropropyl)-3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)-4-methylpiperidine-1-carboxamide
CID 157352144
1-[3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)azetidin-1-yl]butan-1-one;3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)-N-methyl-N-propylazetidine-1-sulfonamide;3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)-N-propylazetidine-1-carboxamide;3-(11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)-N-propylazetidine-1-sulfonamide;11-hydroxy-13-(1-propylsulfonylazetidin-3-yl)-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene
CID 167693860
10-hydroxy-12-(1-methanidyl-3-methylpiperidin-4-yl)-5,7-diaza-10-boratricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene;rubidium(1+)
CID 155724278
13-(4-ethoxycyclohexyl)-11-hydroxy-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene;13-(1-ethylsulfonyl-4-methylpiperidin-3-yl)-11-hydroxy-10-oxa-7-aza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene;N-[3-(11-hydroxy-10-oxa-7-aza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-13-yl)cyclobutyl]cyclopentanecarboxamide
CID 159479059

Frequently Asked Questions

What is the IUPAC name of 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene?
The IUPAC name of 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene (CID 159548452) is 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene.
What is the SMILES notation for 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene?
The canonical SMILES for 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene is Cc1nc2[nH]ccc2c2c1OB(O)C=C2C1CCC1.
What is the InChIKey of 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene?
The InChIKey is WMLISWISQSBOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BN2O2/c1-8-13-12(10-5-6-16-14(10)17-8)11(7-15(18)19-13)9-3-2-4-9/h5-7,9,18H,2-4H2,1H3,(H,16,17).
What are the key properties of 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene?
13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene has a molecular weight of 254.10 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclobutyl-11-hydroxy-8-methyl-10-oxa-5,7-diaza-11-boratricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaene is sourced from PubChem (CID 159548452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).