(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane

C16H21N3O2S — CID 75536942

IUPAC(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane
SMILESCc1nc(C)c(CN2CCOC[C@H](Oc3cccnc3)C2)s1
InChIInChI=1S/C16H21N3O2S/c1-12-16(22-13(2)18-12)10-19-6-7-20-11-15(9-19)21-14-4-3-5-17-8-14/h3-5,8,15H,6-7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyHPZCAELOYBTLMH-OAHLLOKOSA-N
MW319.43 g/mol
LogP2.43
Rot. Bonds4

About (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane

(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane (PubChem CID 75536942) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane
PubChem CID75536942
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane
SMILESCc1nc(C)c(CN2CCOC[C@H](Oc3cccnc3)C2)s1
InChIInChI=1S/C16H21N3O2S/c1-12-16(22-13(2)18-12)10-19-6-7-20-11-15(9-19)21-14-4-3-5-17-8-14/h3-5,8,15H,6-7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyHPZCAELOYBTLMH-OAHLLOKOSA-N
XLogP2.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane with MolForge

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Related Compounds

4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-(4-methylsulfonylphenoxy)-1,4-oxazepane
CID 162806068
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol
CID 162798872
(6R)-6-(4-methylsulfonylphenoxy)-4-(pyridin-3-ylmethyl)-1,4-oxazepane
CID 75367726
(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane
CID 75367720
4-[(4-chlorophenyl)methyl]-6-phenoxy-1,4-oxazepane
CID 162808656
(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75367651
(6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane
CID 75367712
5-[[4-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163350140
4-methyl-5-[(4-pyridin-3-yloxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methyl]-1,3-thiazole
CID 131657145
(6R)-6-(4-methoxyphenoxy)-4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-oxazepane
CID 75367752
(6R)-6-(4-methylsulfonylphenoxy)-N-pyridin-3-yl-1,4-oxazepane-4-carboxamide
CID 75367694
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 70777376

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane?
The IUPAC name of (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane (CID 75536942) is (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane.
What is the SMILES notation for (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane?
The canonical SMILES for (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane is Cc1nc(C)c(CN2CCOC[C@H](Oc3cccnc3)C2)s1.
What is the InChIKey of (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane?
The InChIKey is HPZCAELOYBTLMH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-16(22-13(2)18-12)10-19-6-7-20-11-15(9-19)21-14-4-3-5-17-8-14/h3-5,8,15H,6-7,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane?
(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane has a molecular weight of 319.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane is sourced from PubChem (CID 75536942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).