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

C18H20N4O3 — CID 91894242

IUPAC6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESCCCc1noc(-c2ncn3c2COC(c2ccc(OC)cc2)C3)n1
InChIInChI=1S/C18H20N4O3/c1-3-4-16-20-18(25-21-16)17-14-10-24-15(9-22(14)11-19-17)12-5-7-13(23-2)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyUPRIDGDORRCNFA-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.17
Rot. Bonds5

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

6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 91894242) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID91894242
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESCCCc1noc(-c2ncn3c2COC(c2ccc(OC)cc2)C3)n1
InChIInChI=1S/C18H20N4O3/c1-3-4-16-20-18(25-21-16)17-14-10-24-15(9-22(14)11-19-17)12-5-7-13(23-2)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyUPRIDGDORRCNFA-UHFFFAOYSA-N
XLogP3.17
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 91894235
(6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127978
(6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127329
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 91894231
(6S)-6-(4-methoxyphenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125125918
(6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127722
6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91890022
(6R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127891
(6R)-6-(4-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125128510
(6R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99744107
(6S)-6-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125126090
(6R)-1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127832

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 91894242) is 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is CCCc1noc(-c2ncn3c2COC(c2ccc(OC)cc2)C3)n1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is UPRIDGDORRCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-4-16-20-18(25-21-16)17-14-10-24-15(9-22(14)11-19-17)12-5-7-13(23-2)8-6-12/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 340.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91894242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).