3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide

C26H22F2N4O2 — CID 72697502

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCCF
InChIInChI=1S/C26H22F2N4O2/c27-14-3-15-32-22-5-2-1-4-20(22)21-16-19(10-11-23(21)32)29-24(33)12-13-25-30-26(31-34-25)17-6-8-18(28)9-7-17/h1-2,4-11,16H,3,12-15H2,(H,29,33)
InChIKeyUGRODBMDMXOAQE-UHFFFAOYSA-N
MW460.48 g/mol
LogP5.91
Rot. Bonds8

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide (PubChem CID 72697502) has the molecular formula C26H22F2N4O2 and a molecular weight of 460.48 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide
PubChem CID72697502
Molecular FormulaC26H22F2N4O2
Molecular Weight460.48 g/mol
Exact Mass460.17
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCCF
InChIInChI=1S/C26H22F2N4O2/c27-14-3-15-32-22-5-2-1-4-20(22)21-16-19(10-11-23(21)32)29-24(33)12-13-25-30-26(31-34-25)17-6-8-18(28)9-7-17/h1-2,4-11,16H,3,12-15H2,(H,29,33)
InChIKeyUGRODBMDMXOAQE-UHFFFAOYSA-N
XLogP5.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide (CID 72697502) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide is O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCCF.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide?
The InChIKey is UGRODBMDMXOAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O2/c27-14-3-15-32-22-5-2-1-4-20(22)21-16-19(10-11-23(21)32)29-24(33)12-13-25-30-26(31-34-25)17-6-8-18(28)9-7-17/h1-2,4-11,16H,3,12-15H2,(H,29,33).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide has a molecular weight of 460.48 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-fluoropropyl)carbazol-3-yl]propanamide is sourced from PubChem (CID 72697502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).