2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole

C52H38FN9O3 — CID 160622490

IUPAC2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESFCCCn1c2ccccc2c2cc(-c3nnco3)ccc21.c1ccc(Cn2c3ccccc3c3cc(-c4nnco4)ccc32)cc1.c1ccc2c(c1)[nH]c1ccc(-c3nnco3)cc12
InChIInChI=1S/C21H15N3O.C17H14FN3O.C14H9N3O/c1-2-6-15(7-3-1)13-24-19-9-5-4-8-17(19)18-12-16(10-11-20(18)24)21-23-22-14-25-21;18-8-3-9-21-15-5-2-1-4-13(15)14-10-12(6-7-16(14)21)17-20-19-11-22-17;1-2-4-12-10(3-1)11-7-9(5-6-13(11)16-12)14-17-15-8-18-14/h1-12,14H,13H2;1-2,4-7,10-11H,3,8-9H2;1-8,16H
InChIKeyRGWNSNAHNQNLML-UHFFFAOYSA-N
MW855.93 g/mol
LogP12.47
Rot. Bonds8

About 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole

2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 160622490) has the molecular formula C52H38FN9O3 and a molecular weight of 855.93 g/mol. Its IUPAC name is 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID160622490
Molecular FormulaC52H38FN9O3
Molecular Weight855.93 g/mol
Exact Mass855.31
IUPAC Name2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESFCCCn1c2ccccc2c2cc(-c3nnco3)ccc21.c1ccc(Cn2c3ccccc3c3cc(-c4nnco4)ccc32)cc1.c1ccc2c(c1)[nH]c1ccc(-c3nnco3)cc12
InChIInChI=1S/C21H15N3O.C17H14FN3O.C14H9N3O/c1-2-6-15(7-3-1)13-24-19-9-5-4-8-17(19)18-12-16(10-11-20(18)24)21-23-22-14-25-21;18-8-3-9-21-15-5-2-1-4-13(15)14-10-12(6-7-16(14)21)17-20-19-11-22-17;1-2-4-12-10(3-1)11-7-9(5-6-13(11)16-12)14-17-15-8-18-14/h1-12,14H,13H2;1-2,4-7,10-11H,3,8-9H2;1-8,16H
InChIKeyRGWNSNAHNQNLML-UHFFFAOYSA-N
XLogP12.47
TPSA142.41 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.93
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

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2-(4-tert-butylphenyl)-5-[4-[6-[4-[5-[4-(2-fluoropropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-9H-carbazol-3-yl]phenyl]-1,3,4-oxadiazole
CID 70904501
2-[9-(3-Fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 78425829
2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(2-methylindazol-5-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
CID 117997239
2-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole
CID 138674335
2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole
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dodecacopper;hexaoxidanium;dodecakis(9H-carbazole-3,6-dicarboxylate);hexakis(N,N-diethylformamide)
CID 168332900
dodecakis(9H-carbazole-3,6-dicarboxylate);dodecakis(chromium(3+));dodecakis(N,N-dimethylformamide);bis(formyl-methanidyl-methylideneazanium);hexakis(oxygen(2-))
CID 168335569
2-(4-Carbazol-9-ylphenyl)-5-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,4-oxadiazole
CID 101247731
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Frequently Asked Questions

What is the IUPAC name of 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole (CID 160622490) is 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole is FCCCn1c2ccccc2c2cc(-c3nnco3)ccc21.c1ccc(Cn2c3ccccc3c3cc(-c4nnco4)ccc32)cc1.c1ccc2c(c1)[nH]c1ccc(-c3nnco3)cc12.
What is the InChIKey of 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is RGWNSNAHNQNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O.C17H14FN3O.C14H9N3O/c1-2-6-15(7-3-1)13-24-19-9-5-4-8-17(19)18-12-16(10-11-20(18)24)21-23-22-14-25-21;18-8-3-9-21-15-5-2-1-4-13(15)14-10-12(6-7-16(14)21)17-20-19-11-22-17;1-2-4-12-10(3-1)11-7-9(5-6-13(11)16-12)14-17-15-8-18-14/h1-12,14H,13H2;1-2,4-7,10-11H,3,8-9H2;1-8,16H.
What are the key properties of 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole?
2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 855.93 g/mol, XLogP of 12.47, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9H-carbazol-3-yl)-1,3,4-oxadiazole;2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 160622490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).