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

C25H20F2N4O2 — CID 72697217

IUPACN-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCF
InChIInChI=1S/C25H20F2N4O2/c26-13-14-31-21-4-2-1-3-19(21)20-15-18(9-10-22(20)31)28-23(32)11-12-24-29-25(30-33-24)16-5-7-17(27)8-6-16/h1-10,15H,11-14H2,(H,28,32)
InChIKeyJOOWQDRRSLVPOP-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.52
Rot. Bonds7

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

N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 72697217) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID72697217
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCF
InChIInChI=1S/C25H20F2N4O2/c26-13-14-31-21-4-2-1-3-19(21)20-15-18(9-10-22(20)31)28-23(32)11-12-24-29-25(30-33-24)16-5-7-17(27)8-6-16/h1-10,15H,11-14H2,(H,28,32)
InChIKeyJOOWQDRRSLVPOP-UHFFFAOYSA-N
XLogP5.52
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 72697217) is N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCF.
What is the InChIKey of N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is JOOWQDRRSLVPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c26-13-14-31-21-4-2-1-3-19(21)20-15-18(9-10-22(20)31)28-23(32)11-12-24-29-25(30-33-24)16-5-7-17(27)8-6-16/h1-10,15H,11-14H2,(H,28,32).
What are the key properties of N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 446.46 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 72697217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).