(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane

C14H19N5O — CID 124948146

IUPAC(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
SMILESc1cnc(C[C@H]2COCCN(Cc3ncc[nH]3)C2)cn1
InChIInChI=1S/C14H19N5O/c1-2-16-13(8-15-1)7-12-9-19(5-6-20-11-12)10-14-17-3-4-18-14/h1-4,8,12H,5-7,9-11H2,(H,17,18)/t12-/m1/s1
InChIKeyCKXADKSBSBHQOG-GFCCVEGCSA-N
MW273.34 g/mol
LogP0.89
Rot. Bonds4

About (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane

(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane (PubChem CID 124948146) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
PubChem CID124948146
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
SMILESc1cnc(C[C@H]2COCCN(Cc3ncc[nH]3)C2)cn1
InChIInChI=1S/C14H19N5O/c1-2-16-13(8-15-1)7-12-9-19(5-6-20-11-12)10-14-17-3-4-18-14/h1-4,8,12H,5-7,9-11H2,(H,17,18)/t12-/m1/s1
InChIKeyCKXADKSBSBHQOG-GFCCVEGCSA-N
XLogP0.89
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 110130952
(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 95846087
(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane
CID 124957727
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 125026089
(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 95842105
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
CID 130604179
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075
(6R)-4-[(1-methylimidazol-2-yl)methyl]-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 95848013
1-(1H-imidazol-2-ylmethyl)-4-phenyl-6-(pyridin-2-ylmethyl)-1,4-diazepane
CID 110264524
(2-propan-2-ylpyrimidin-5-yl)-[(6R)-6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124950185
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 95828196

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The IUPAC name of (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane (CID 124948146) is (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane is c1cnc(C[C@H]2COCCN(Cc3ncc[nH]3)C2)cn1.
What is the InChIKey of (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The InChIKey is CKXADKSBSBHQOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-16-13(8-15-1)7-12-9-19(5-6-20-11-12)10-14-17-3-4-18-14/h1-4,8,12H,5-7,9-11H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane has a molecular weight of 273.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 124948146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).