[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C24H31N3O3 — CID 68506266

IUPAC[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3ccc4c(c3)CCN(C3CCC3)CC4)CC2)no1
InChIInChI=1S/C24H31N3O3/c1-17-15-23(25-30-17)24(28)27-13-9-21(10-14-27)29-22-6-5-18-7-11-26(20-3-2-4-20)12-8-19(18)16-22/h5-6,15-16,20-21H,2-4,7-14H2,1H3
InChIKeyMYAXDFIQUFKCGW-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.62
Rot. Bonds4

About [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 68506266) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID68506266
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Oc3ccc4c(c3)CCN(C3CCC3)CC4)CC2)no1
InChIInChI=1S/C24H31N3O3/c1-17-15-23(25-30-17)24(28)27-13-9-21(10-14-27)29-22-6-5-18-7-11-26(20-3-2-4-20)12-8-19(18)16-22/h5-6,15-16,20-21H,2-4,7-14H2,1H3
InChIKeyMYAXDFIQUFKCGW-UHFFFAOYSA-N
XLogP3.62
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

4-{[5-(4-Methoxyphenyl)-1,2-oxazol-3-yl]carbonyl}morpholine
CID 17252835
N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118796836
5-[(3,4-dimethylphenoxy)methyl]-N-(2-methyl-2-morpholino-propyl)isoxazole-3-carboxamide
CID 24818973
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 16285974
1-{[5-(4-Methoxyphenyl)-3-isoxazolyl]carbonyl}azepane
CID 17252833
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
4-({5-[(2,5-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)morpholine
CID 24790673
5-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24791199
[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl](5-methyl-3-isoxazolyl)methanone
CID 2812036
1-Benzhydryl-4-{[5-(3-methoxyphenyl)isoxazol-3-yl]carbonyl}piperazine
CID 3241945
6-{[5-(3-Methoxyphenyl)isoxazol-3-yl]carbonyl}-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 3244808

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 68506266) is [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Oc3ccc4c(c3)CCN(C3CCC3)CC4)CC2)no1.
What is the InChIKey of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is MYAXDFIQUFKCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17-15-23(25-30-17)24(28)27-13-9-21(10-14-27)29-22-6-5-18-7-11-26(20-3-2-4-20)12-8-19(18)16-22/h5-6,15-16,20-21H,2-4,7-14H2,1H3.
What are the key properties of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 409.53 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 68506266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).