(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane

C14H19N5O2 — CID 95846087

IUPAC(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
SMILESCc1nc(CN2CCOC[C@H](Cc3cnccn3)C2)no1
InChIInChI=1S/C14H19N5O2/c1-11-17-14(18-21-11)9-19-4-5-20-10-12(8-19)6-13-7-15-2-3-16-13/h2-3,7,12H,4-6,8-10H2,1H3/t12-/m1/s1
InChIKeyKGIUFAPCPNYWOO-GFCCVEGCSA-N
MW289.34 g/mol
LogP0.86
Rot. Bonds4

About (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane

(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane (PubChem CID 95846087) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
PubChem CID95846087
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
SMILESCc1nc(CN2CCOC[C@H](Cc3cnccn3)C2)no1
InChIInChI=1S/C14H19N5O2/c1-11-17-14(18-21-11)9-19-4-5-20-10-12(8-19)6-13-7-15-2-3-16-13/h2-3,7,12H,4-6,8-10H2,1H3/t12-/m1/s1
InChIKeyKGIUFAPCPNYWOO-GFCCVEGCSA-N
XLogP0.86
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane 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-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 110130952
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 124948146
(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane
CID 124957727
(6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane
CID 125026143
(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane
CID 124954668
(6R)-4-[(1-methylimidazol-2-yl)methyl]-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 95848013
3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
CID 124990434
N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine
CID 110272077
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
2-(2-methyl-1,3-thiazol-4-yl)-1-[6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 127245622
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
(2-propan-2-ylpyrimidin-5-yl)-[(6R)-6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124950185

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The IUPAC name of (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane (CID 95846087) is (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane is Cc1nc(CN2CCOC[C@H](Cc3cnccn3)C2)no1.
What is the InChIKey of (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The InChIKey is KGIUFAPCPNYWOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11-17-14(18-21-11)9-19-4-5-20-10-12(8-19)6-13-7-15-2-3-16-13/h2-3,7,12H,4-6,8-10H2,1H3/t12-/m1/s1.
What are the key properties of (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane has a molecular weight of 289.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 95846087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).