(2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane

C15H26N4O2 — CID 99933209

IUPAC(2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
SMILESCn1cncc1CN1CCCO[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C15H26N4O2/c1-17-13-16-9-14(17)10-19-3-2-6-21-15(12-19)11-18-4-7-20-8-5-18/h9,13,15H,2-8,10-12H2,1H3/t15-/m0/s1
InChIKeyOGMBFRUGLLBFBM-HNNXBMFYSA-N
MW294.40 g/mol
LogP0.34
Rot. Bonds4

About (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane

(2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane (PubChem CID 99933209) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
PubChem CID99933209
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
SMILESCn1cncc1CN1CCCO[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C15H26N4O2/c1-17-13-16-9-14(17)10-19-3-2-6-21-15(12-19)11-18-4-7-20-8-5-18/h9,13,15H,2-8,10-12H2,1H3/t15-/m0/s1
InChIKeyOGMBFRUGLLBFBM-HNNXBMFYSA-N
XLogP0.34
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74234750
(3-methylimidazol-4-yl)-[2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 118791140
(6S)-4-[(3-methylimidazol-4-yl)methyl]-6-(pyridin-3-ylmethyl)-1,4-oxazepane
CID 124953603
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74232188
4-[(3-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74230280
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
4-[(2-chloro-4-fluorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74241217
3-[[(2R)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99944117
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine
CID 110272077
N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110112883
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane?
The IUPAC name of (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane (CID 99933209) is (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane is Cn1cncc1CN1CCCO[C@@H](CN2CCOCC2)C1.
What is the InChIKey of (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane?
The InChIKey is OGMBFRUGLLBFBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-17-13-16-9-14(17)10-19-3-2-6-21-15(12-19)11-18-4-7-20-8-5-18/h9,13,15H,2-8,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane?
(2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane has a molecular weight of 294.40 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 99933209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).