6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

C19H14ClN5O2 — CID 87053804

IUPAC6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESClc1ccccc1C1Cn2cnc(-c3nc(-c4cccnc4)no3)c2CO1
InChIInChI=1S/C19H14ClN5O2/c20-14-6-2-1-5-13(14)16-9-25-11-22-17(15(25)10-26-16)19-23-18(24-27-19)12-4-3-7-21-8-12/h1-8,11,16H,9-10H2
InChIKeyPDBJPSZLQFPDML-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.92
Rot. Bonds3

About 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 87053804) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID87053804
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESClc1ccccc1C1Cn2cnc(-c3nc(-c4cccnc4)no3)c2CO1
InChIInChI=1S/C19H14ClN5O2/c20-14-6-2-1-5-13(14)16-9-25-11-22-17(15(25)10-26-16)19-23-18(24-27-19)12-4-3-7-21-8-12/h1-8,11,16H,9-10H2
InChIKeyPDBJPSZLQFPDML-UHFFFAOYSA-N
XLogP3.92
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

3-{[3-(benzyloxy)-1-piperidinyl]methyl}-6-chloro-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 16188241
3-(4-Tert-butylphenyl)-5-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazin-1-YL]-1,2,4-oxadiazole
CID 87053792
4-(2-(3-(3-(2-Chlorobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 22339945
US10710994, Example 39
CID 139486537
6-(2-chlorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-8H-imidazo[5,1-c][1,4]oxazine
CID 87053807
2-{5-[6-(4-Fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-C][1,4]oxazin-3-YL]-1,2,4-oxadiazol-3-YL}pyridine
CID 91889327
3-{[3-(Benzyloxy)piperidin-1-yl]methyl}-2-(pyrrolidin-1-ylcarbonyl)imidazo[1,2-a]pyridine
CID 16192205
5-[6-(2-Chlorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazin-1-YL]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 87053806
US11208422, Example 73
CID 137362142
US10710994, Example 155
CID 139486449
US10710994, Example 41
CID 139486567
US10710994, Example 45
CID 139486601

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 87053804) is 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is Clc1ccccc1C1Cn2cnc(-c3nc(-c4cccnc4)no3)c2CO1.
What is the InChIKey of 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is PDBJPSZLQFPDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-14-6-2-1-5-13(14)16-9-25-11-22-17(15(25)10-26-16)19-23-18(24-27-19)12-4-3-7-21-8-12/h1-8,11,16H,9-10H2.
What are the key properties of 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 379.81 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 87053804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).