N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C25H22N4O2 — CID 25033873

IUPACN-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4)no3)ccc21
InChIInChI=1S/C25H22N4O2/c1-2-29-21-11-7-6-10-19(21)20-16-18(12-13-22(20)29)26-23(30)14-15-24-27-25(28-31-24)17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,26,30)
InChIKeyGXYDSFUDSNMVRH-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.44
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 25033873) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID25033873
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4)no3)ccc21
InChIInChI=1S/C25H22N4O2/c1-2-29-21-11-7-6-10-19(21)20-16-18(12-13-22(20)29)26-23(30)14-15-24-27-25(28-31-24)17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,26,30)
InChIKeyGXYDSFUDSNMVRH-UHFFFAOYSA-N
XLogP5.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 25033873) is N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4)no3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GXYDSFUDSNMVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-2-29-21-11-7-6-10-19(21)20-16-18(12-13-22(20)29)26-23(30)14-15-24-27-25(28-31-24)17-8-4-3-5-9-17/h3-13,16H,2,14-15H2,1H3,(H,26,30).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 410.48 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 25033873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).