5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine

C28H22N4O — CID 15597014

IUPAC5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine
SMILESCCn1c2ccccc2c2cc(-c3nnc(N(c4ccccc4)c4ccccc4)o3)ccc21
InChIInChI=1S/C28H22N4O/c1-2-31-25-16-10-9-15-23(25)24-19-20(17-18-26(24)31)27-29-30-28(33-27)32(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H,2H2,1H3
InChIKeyHOTSXJPWHMLYBR-UHFFFAOYSA-N
MW430.51 g/mol
LogP7.33
Rot. Bonds5

About 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine

5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine (PubChem CID 15597014) has the molecular formula C28H22N4O and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine
PubChem CID15597014
Molecular FormulaC28H22N4O
Molecular Weight430.51 g/mol
Exact Mass430.18
IUPAC Name5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine
SMILESCCn1c2ccccc2c2cc(-c3nnc(N(c4ccccc4)c4ccccc4)o3)ccc21
InChIInChI=1S/C28H22N4O/c1-2-31-25-16-10-9-15-23(25)24-19-20(17-18-26(24)31)27-29-30-28(33-27)32(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H,2H2,1H3
InChIKeyHOTSXJPWHMLYBR-UHFFFAOYSA-N
XLogP7.33
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine (CID 15597014) is 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine is CCn1c2ccccc2c2cc(-c3nnc(N(c4ccccc4)c4ccccc4)o3)ccc21.
What is the InChIKey of 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is HOTSXJPWHMLYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O/c1-2-31-25-16-10-9-15-23(25)24-19-20(17-18-26(24)31)27-29-30-28(33-27)32(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-19H,2H2,1H3.
What are the key properties of 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine?
5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 430.51 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-ethylcarbazol-3-yl)-N,N-diphenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15597014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).