2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C23H19N3O2 — CID 57223037

IUPAC2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCc1cc(-c2nnc(-c3ccc(OC)cc3)o2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C23H19N3O2/c1-3-14-12-18-17-6-4-5-7-20(17)24-21(18)19(13-14)23-26-25-22(28-23)15-8-10-16(27-2)11-9-15/h4-13,24H,3H2,1-2H3
InChIKeyIOSLURDLMVGQFL-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.61
Rot. Bonds4

About 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 57223037) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID57223037
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCc1cc(-c2nnc(-c3ccc(OC)cc3)o2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C23H19N3O2/c1-3-14-12-18-17-6-4-5-7-20(17)24-21(18)19(13-14)23-26-25-22(28-23)15-8-10-16(27-2)11-9-15/h4-13,24H,3H2,1-2H3
InChIKeyIOSLURDLMVGQFL-UHFFFAOYSA-N
XLogP5.61
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746093
2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 137308252
2-(4-anthracen-9-ylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 156612748
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
2-(3-bromophenyl)-5-(9H-carbazol-1-yl)-1,3,4-oxadiazole
CID 142721466
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012925
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 57223037) is 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is CCc1cc(-c2nnc(-c3ccc(OC)cc3)o2)c2[nH]c3ccccc3c2c1.
What is the InChIKey of 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is IOSLURDLMVGQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-3-14-12-18-17-6-4-5-7-20(17)24-21(18)19(13-14)23-26-25-22(28-23)15-8-10-16(27-2)11-9-15/h4-13,24H,3H2,1-2H3.
What are the key properties of 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 369.42 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-9H-carbazol-1-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 57223037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).