5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine

C26H33N5O4 — CID 67472698

IUPAC5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CCN(C3COC(C)(C)OC3)CC4)no2)cc1N
InChIInChI=1S/C26H33N5O4/c1-16(2)34-25-22(27)12-20(13-28-25)24-29-23(30-35-24)19-6-5-17-7-9-31(10-8-18(17)11-19)21-14-32-26(3,4)33-15-21/h5-6,11-13,16,21H,7-10,14-15,27H2,1-4H3
InChIKeyOJZCMMMWUZGZGR-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.72
Rot. Bonds5

About 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine

5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 67472698) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine
PubChem CID67472698
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CCN(C3COC(C)(C)OC3)CC4)no2)cc1N
InChIInChI=1S/C26H33N5O4/c1-16(2)34-25-22(27)12-20(13-28-25)24-29-23(30-35-24)19-6-5-17-7-9-31(10-8-18(17)11-19)21-14-32-26(3,4)33-15-21/h5-6,11-13,16,21H,7-10,14-15,27H2,1-4H3
InChIKeyOJZCMMMWUZGZGR-UHFFFAOYSA-N
XLogP3.72
TPSA108.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[2-[(2S)-2,3-dihydroxypropyl]-3,4-dihydro-1H-isoquinolin-6-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile;ethoxyethane
CID 67284902
tert-butyl N-[2-[7-[5-[5-amino-6-(propylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-oxoethyl]carbamate
CID 67472668
2-amino-1-[7-[5-[5-methanimidoyl-6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 91559967
sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride
CID 173464699
1-[[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-3-carboxylic acid
CID 24960574
ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate
CID 58222435
3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
5-[3-[2-[(2S)-2-amino-3-hydroxybutanoyl]-5-methyl-3,4-dihydro-1H-isoquinolin-6-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile;hydrochloride
CID 67284170
2-propan-2-yloxy-5-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 89171413
3-[4-[3-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylanilino]cyclopentane-1-carboxylic acid
CID 75989767
2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-N-(1-hydroxypropan-2-yl)-2-methylpropanamide
CID 75302146
3-(3-chloro-4-propan-2-yloxyphenyl)-5-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-1,2,4-oxadiazole;3-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]propane-1,2-diol
CID 160802219

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine (CID 67472698) is 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CCN(C3COC(C)(C)OC3)CC4)no2)cc1N.
What is the InChIKey of 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is OJZCMMMWUZGZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-16(2)34-25-22(27)12-20(13-28-25)24-29-23(30-35-24)19-6-5-17-7-9-31(10-8-18(17)11-19)21-14-32-26(3,4)33-15-21/h5-6,11-13,16,21H,7-10,14-15,27H2,1-4H3.
What are the key properties of 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine?
5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 479.58 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(2,2-dimethyl-1,3-dioxan-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 67472698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).