7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole

C24H23ClN4O2 — CID 74389758

IUPAC7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole
SMILESCOc1cc(C=CC2=NOC3(c4ccccc4Cl)CCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN4O2/c1-17-15-28(16-26-17)21-10-8-18(14-22(21)30-2)9-11-23-27-31-24(12-5-13-29(23)24)19-6-3-4-7-20(19)25/h3-4,6-11,14-16H,5,12-13H2,1-2H3
InChIKeyDMRHSZCQXKVKEO-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.15
Rot. Bonds5

About 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole

7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole (PubChem CID 74389758) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole.

Molecular Properties

Compound Name7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole
PubChem CID74389758
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole
SMILESCOc1cc(C=CC2=NOC3(c4ccccc4Cl)CCCN23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN4O2/c1-17-15-28(16-26-17)21-10-8-18(14-22(21)30-2)9-11-23-27-31-24(12-5-13-29(23)24)19-6-3-4-7-20(19)25/h3-4,6-11,14-16H,5,12-13H2,1-2H3
InChIKeyDMRHSZCQXKVKEO-UHFFFAOYSA-N
XLogP5.15
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-10b-methyl-5,6-dihydro-[1,2,4]oxadiazolo[5,4-a]isoquinoline
CID 74389987
8a-(4-fluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,8-dihydro-5H-[1,2,4]oxadiazolo[5,4-c][1,4]oxazine
CID 74389638
3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-4-[(4-methoxyphenyl)methyl]spiro[1,2,4-oxadiazole-5,3'-1,2-dihydroindene]
CID 59502153
(8'E)-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2,3-dihydrochromene-4,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 25145701
(8'E)-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2,3-dihydrothiochromene-4,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 25143734
3-[(E)-2-[4-(2-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]ethenyl]-8a-(3,5-difluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,5-a]pyridine
CID 25129580
ethane;1-(4-ethenyl-2-methoxyphenyl)-4-methylimidazole;5-fluorospiro[1,2-dihydroindene-3,3'-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 143987979
9a-(4-fluorophenyl)-4-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6,7,9-tetrahydro-[1,4]oxazino[4,3-d][1,2,4]oxadiazine
CID 25142009
8-(2-fluorophenyl)-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 66839184
(8'Z)-6-fluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[1,2-dihydroindene-3,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 59502188
5-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazole
CID 74396066
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-phenyl-5,6-dihydropyrrolo[1,2-b][1,2,4]triazol-7-ol
CID 66839350

Frequently Asked Questions

What is the IUPAC name of 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole?
The IUPAC name of 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole (CID 74389758) is 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole.
What is the SMILES notation for 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole?
The canonical SMILES for 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole is COc1cc(C=CC2=NOC3(c4ccccc4Cl)CCCN23)ccc1-n1cnc(C)c1.
What is the InChIKey of 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole?
The InChIKey is DMRHSZCQXKVKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-17-15-28(16-26-17)21-10-8-18(14-22(21)30-2)9-11-23-27-31-24(12-5-13-29(23)24)19-6-3-4-7-20(19)25/h3-4,6-11,14-16H,5,12-13H2,1-2H3.
What are the key properties of 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole?
7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole has a molecular weight of 434.93 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(2-chlorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]oxadiazole is sourced from PubChem (CID 74389758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).