2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine

C16H19N3O2 — CID 43110680

IUPAC2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCC(c1nc(C3CCCCC3)no1)O2
InChIInChI=1S/C16H19N3O2/c1-2-6-11(7-3-1)15-18-16(21-19-15)14-10-17-12-8-4-5-9-13(12)20-14/h4-5,8-9,11,14,17H,1-3,6-7,10H2
InChIKeyCCAVTSSAEBPPFX-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.66
Rot. Bonds2

About 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine

2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 43110680) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID43110680
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCC(c1nc(C3CCCCC3)no1)O2
InChIInChI=1S/C16H19N3O2/c1-2-6-11(7-3-1)15-18-16(21-19-15)14-10-17-12-8-4-5-9-13(12)20-14/h4-5,8-9,11,14,17H,1-3,6-7,10H2
InChIKeyCCAVTSSAEBPPFX-UHFFFAOYSA-N
XLogP3.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine 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

4-[2-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4-benzoxazin-3-one
CID 70688784
1-[2-[3-(4-Morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 16736552
N-(3-Ethylphenyl)-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91918571
N-(3-Fluoro-2-methylphenyl)-3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-YL]piperidine-1-carboxamide
CID 91918532
N-(4-Ethylphenyl)-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91918555
N-(3-Fluoro-2-methylphenyl)-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91918570
4-((3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CID 30850272
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 45351673
4-{[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 53101127
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
CID 72896849
N-(2,5-Dimethylphenyl)-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91918558
N-(3,5-Dimethylphenyl)-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine-1-carboxamide
CID 91918559

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 43110680) is 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine is c1ccc2c(c1)NCC(c1nc(C3CCCCC3)no1)O2.
What is the InChIKey of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is CCAVTSSAEBPPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-6-11(7-3-1)15-18-16(21-19-15)14-10-17-12-8-4-5-9-13(12)20-14/h4-5,8-9,11,14,17H,1-3,6-7,10H2.
What are the key properties of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine?
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 285.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 43110680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).