2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

C25H17N3O2S — CID 101380533

IUPAC2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-n2c3ccccc3c3cc(-c4nnc(-c5cccs5)o4)ccc32)cc1
InChIInChI=1S/C25H17N3O2S/c1-29-18-11-9-17(10-12-18)28-21-6-3-2-5-19(21)20-15-16(8-13-22(20)28)24-26-27-25(30-24)23-7-4-14-31-23/h2-15H,1H3
InChIKeyFHPPYSRDDQMDAH-UHFFFAOYSA-N
MW423.50 g/mol
LogP6.57
Rot. Bonds4

About 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 101380533) has the molecular formula C25H17N3O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID101380533
Molecular FormulaC25H17N3O2S
Molecular Weight423.50 g/mol
Exact Mass423.10
IUPAC Name2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-n2c3ccccc3c3cc(-c4nnc(-c5cccs5)o4)ccc32)cc1
InChIInChI=1S/C25H17N3O2S/c1-29-18-11-9-17(10-12-18)28-21-6-3-2-5-19(21)20-15-16(8-13-22(20)28)24-26-27-25(30-24)23-7-4-14-31-23/h2-15H,1H3
InChIKeyFHPPYSRDDQMDAH-UHFFFAOYSA-N
XLogP6.57
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 101380533) is 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is COc1ccc(-n2c3ccccc3c3cc(-c4nnc(-c5cccs5)o4)ccc32)cc1.
What is the InChIKey of 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is FHPPYSRDDQMDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2S/c1-29-18-11-9-17(10-12-18)28-21-6-3-2-5-19(21)20-15-16(8-13-22(20)28)24-26-27-25(30-24)23-7-4-14-31-23/h2-15H,1H3.
What are the key properties of 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 423.50 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-methoxyphenyl)carbazol-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 101380533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).