[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone

C18H20Cl2N4O2 — CID 46270817

IUPAC[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C18H20Cl2N4O2/c1-18(2)11(10-13(19)20)14(18)16(25)23-6-8-24(9-7-23)17-22-15-12(26-17)4-3-5-21-15/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyDCSFVOQVZPBOMV-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.46
Rot. Bonds3

About [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone

[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 46270817) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID46270817
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2nc3ncccc3o2)CC1
InChIInChI=1S/C18H20Cl2N4O2/c1-18(2)11(10-13(19)20)14(18)16(25)23-6-8-24(9-7-23)17-22-15-12(26-17)4-3-5-21-15/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyDCSFVOQVZPBOMV-UHFFFAOYSA-N
XLogP3.46
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46270779
2-(2-chlorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 50754741
[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340026
(2-bromophenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 50755015
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
CID 154564115
(1,5-dimethylpyrazol-3-yl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340041
2-(4-fluorophenyl)-1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 46270777
cis-(1R,3S)-3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065880
6-chloro-N-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 134791512
1-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
CID 134792559
2-(4-propylpiperazin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;dihydrobromide
CID 11452552

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 46270817) is [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is CC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2nc3ncccc3o2)CC1.
What is the InChIKey of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is DCSFVOQVZPBOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-18(2)11(10-13(19)20)14(18)16(25)23-6-8-24(9-7-23)17-22-15-12(26-17)4-3-5-21-15/h3-5,10-11,14H,6-9H2,1-2H3.
What are the key properties of [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 395.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46270817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).