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

C21H18N4O3 — CID 125127329

IUPAC(6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESCOc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)cc1
InChIInChI=1S/C21H18N4O3/c1-26-16-9-7-15(8-10-16)20-23-21(28-24-20)19-17-12-27-18(11-25(17)13-22-19)14-5-3-2-4-6-14/h2-10,13,18H,11-12H2,1H3/t18-/m1/s1
InChIKeyMFVIMQUFOICBNC-GOSISDBHSA-N
MW374.40 g/mol
LogP3.88
Rot. Bonds4

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

(6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 125127329) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is (6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID125127329
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name(6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESCOc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)cc1
InChIInChI=1S/C21H18N4O3/c1-26-16-9-7-15(8-10-16)20-23-21(28-24-20)19-17-12-27-18(11-25(17)13-22-19)14-5-3-2-4-6-14/h2-10,13,18H,11-12H2,1H3/t18-/m1/s1
InChIKeyMFVIMQUFOICBNC-GOSISDBHSA-N
XLogP3.88
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.88
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
(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
(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)-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
(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
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
(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
(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
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
(6R)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125128134
(6R)-6-phenyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125126731
(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 (6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of (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) is (6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for (6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is COc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)cc1.
What is the InChIKey of (6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is MFVIMQUFOICBNC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-26-16-9-7-15(8-10-16)20-23-21(28-24-20)19-17-12-27-18(11-25(17)13-22-19)14-5-3-2-4-6-14/h2-10,13,18H,11-12H2,1H3/t18-/m1/s1.
What are the key properties of (6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
(6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 374.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 125127329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).