(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane

C17H21N5O — CID 125026089

IUPAC(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
SMILESc1c[nH]c(CN2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)n1
InChIInChI=1S/C17H21N5O/c1-2-16-15(9-20-21-16)8-13(1)7-14-10-22(5-6-23-12-14)11-17-18-3-4-19-17/h1-4,8-9,14H,5-7,10-12H2,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyZRBWSJIXRBMGSI-CQSZACIVSA-N
MW311.39 g/mol
LogP1.98
Rot. Bonds4

About (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane

(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane (PubChem CID 125026089) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
PubChem CID125026089
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
SMILESc1c[nH]c(CN2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)n1
InChIInChI=1S/C17H21N5O/c1-2-16-15(9-20-21-16)8-13(1)7-14-10-22(5-6-23-12-14)11-17-18-3-4-19-17/h1-4,8-9,14H,5-7,10-12H2,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyZRBWSJIXRBMGSI-CQSZACIVSA-N
XLogP1.98
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane with MolForge

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Related Compounds

(6S)-6-(1H-indazol-5-ylmethyl)-4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepane
CID 125019193
(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
CID 124997654
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 124948146
6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 127245807
1-[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
CID 125013888
(6S)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 124938715
[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 124984174
5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159015
(6S)-4-(cyclopropylmethyl)-6-(1H-indol-5-ylmethyl)-1,4-oxazepane
CID 125013548
4-[3-(1H-indazol-5-yl)propyl]morpholine
CID 170870011
[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
CID 59159018
[6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 110111232

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane?
The IUPAC name of (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane (CID 125026089) is (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane is c1c[nH]c(CN2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)n1.
What is the InChIKey of (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane?
The InChIKey is ZRBWSJIXRBMGSI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-16-15(9-20-21-16)8-13(1)7-14-10-22(5-6-23-12-14)11-17-18-3-4-19-17/h1-4,8-9,14H,5-7,10-12H2,(H,18,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane?
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane has a molecular weight of 311.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 125026089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).