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

C19H14ClN5O2 — CID 87053803

IUPAC6-(2-chlorophenyl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESClc1ccccc1C1Cn2cnc(-c3nc(-c4ccccn4)no3)c2CO1
InChIInChI=1S/C19H14ClN5O2/c20-13-6-2-1-5-12(13)16-9-25-11-22-17(15(25)10-26-16)19-23-18(24-27-19)14-7-3-4-8-21-14/h1-8,11,16H,9-10H2
InChIKeyBPZUSLSFCWELEY-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.92
Rot. Bonds3

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

6-(2-chlorophenyl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 87053803) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1-(3-pyridin-2-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-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID87053803
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name6-(2-chlorophenyl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESClc1ccccc1C1Cn2cnc(-c3nc(-c4ccccn4)no3)c2CO1
InChIInChI=1S/C19H14ClN5O2/c20-13-6-2-1-5-12(13)16-9-25-11-22-17(15(25)10-26-16)19-23-18(24-27-19)14-7-3-4-8-21-14/h1-8,11,16H,9-10H2
InChIKeyBPZUSLSFCWELEY-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-1-(3-pyridin-2-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-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 87053803) is 6-(2-chlorophenyl)-1-(3-pyridin-2-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-2-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-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is Clc1ccccc1C1Cn2cnc(-c3nc(-c4ccccn4)no3)c2CO1.
What is the InChIKey of 6-(2-chlorophenyl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is BPZUSLSFCWELEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-13-6-2-1-5-12(13)16-9-25-11-22-17(15(25)10-26-16)19-23-18(24-27-19)14-7-3-4-8-21-14/h1-8,11,16H,9-10H2.
What are the key properties of 6-(2-chlorophenyl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
6-(2-chlorophenyl)-1-(3-pyridin-2-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-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 87053803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).