4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane

C15H21N5O — CID 110130952

IUPAC4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
SMILESCn1ccnc1CN1CCOCC(Cc2cnccn2)C1
InChIInChI=1S/C15H21N5O/c1-19-5-4-18-15(19)11-20-6-7-21-12-13(10-20)8-14-9-16-2-3-17-14/h2-5,9,13H,6-8,10-12H2,1H3
InChIKeySXVNHLIBSWQJCS-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.90
Rot. Bonds4

About 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane

4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane (PubChem CID 110130952) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
PubChem CID110130952
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
SMILESCn1ccnc1CN1CCOCC(Cc2cnccn2)C1
InChIInChI=1S/C15H21N5O/c1-19-5-4-18-15(19)11-20-6-7-21-12-13(10-20)8-14-9-16-2-3-17-14/h2-5,9,13H,6-8,10-12H2,1H3
InChIKeySXVNHLIBSWQJCS-UHFFFAOYSA-N
XLogP0.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-4-[(1-methylimidazol-2-yl)methyl]-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 95848013
(6R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 95846087
(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
N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine
CID 110272077
[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 56860823
2-(1-methylimidazol-2-yl)-3-[[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]methyl]pyrazine
CID 125021370
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 154737586
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
(1-ethylpyrazol-3-yl)-[(6R)-6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125022855
(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 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane (CID 110130952) is 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane is Cn1ccnc1CN1CCOCC(Cc2cnccn2)C1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
The InChIKey is SXVNHLIBSWQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19-5-4-18-15(19)11-20-6-7-21-12-13(10-20)8-14-9-16-2-3-17-14/h2-5,9,13H,6-8,10-12H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane?
4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane has a molecular weight of 287.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 110130952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).