2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol

C16H22N4O2 — CID 134131946

IUPAC2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESCN1CCCN(c2cncc(-c3cc(CCO)no3)c2)CC1
InChIInChI=1S/C16H22N4O2/c1-19-4-2-5-20(7-6-19)15-9-13(11-17-12-15)16-10-14(3-8-21)18-22-16/h9-12,21H,2-8H2,1H3
InChIKeyZDANANXJEHBAHQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.41
Rot. Bonds4

About 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol

2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (PubChem CID 134131946) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
PubChem CID134131946
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESCN1CCCN(c2cncc(-c3cc(CCO)no3)c2)CC1
InChIInChI=1S/C16H22N4O2/c1-19-4-2-5-20(7-6-19)15-9-13(11-17-12-15)16-10-14(3-8-21)18-22-16/h9-12,21H,2-8H2,1H3
InChIKeyZDANANXJEHBAHQ-UHFFFAOYSA-N
XLogP1.41
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[2-(1,4-dioxan-2-yl)ethyl]-3-pyridinyl]-4-methylpiperazine
CID 151135992
1-(5-cyclopentyloxy-3-pyridinyl)-4-methyl-1,4-diazepane
CID 22478500
1-methyl-4-[5-[(E)-prop-1-enoxy]-3-pyridinyl]-1,4-diazepane
CID 22478507
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]triazol-1-yl]benzamide
CID 53465240
2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 140529582
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 29257142
(4-methylpiperazin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226454
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
tert-butyl 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetate
CID 66869311
3-(1-ethyltriazol-4-yl)-5-piperidin-1-ylpyridine
CID 176815874

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The IUPAC name of 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (CID 134131946) is 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is CN1CCCN(c2cncc(-c3cc(CCO)no3)c2)CC1.
What is the InChIKey of 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The InChIKey is ZDANANXJEHBAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-4-2-5-20(7-6-19)15-9-13(11-17-12-15)16-10-14(3-8-21)18-22-16/h9-12,21H,2-8H2,1H3.
What are the key properties of 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol has a molecular weight of 302.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is sourced from PubChem (CID 134131946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).