N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C24H28FN5O3 — CID 3236100

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCCN3CCN(c4ccccc4F)CC3)n2)cc1
InChIInChI=1S/C24H28FN5O3/c1-32-19-8-6-18(7-9-19)24-27-23(33-28-24)11-10-22(31)26-12-13-29-14-16-30(17-15-29)21-5-3-2-4-20(21)25/h2-9H,10-17H2,1H3,(H,26,31)
InChIKeyOSVUKECOZKOKFC-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.76
Rot. Bonds9

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3236100) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3236100
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NCCN3CCN(c4ccccc4F)CC3)n2)cc1
InChIInChI=1S/C24H28FN5O3/c1-32-19-8-6-18(7-9-19)24-27-23(33-28-24)11-10-22(31)26-12-13-29-14-16-30(17-15-29)21-5-3-2-4-20(21)25/h2-9H,10-17H2,1H3,(H,26,31)
InChIKeyOSVUKECOZKOKFC-UHFFFAOYSA-N
XLogP2.76
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3236100) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(=O)NCCN3CCN(c4ccccc4F)CC3)n2)cc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is OSVUKECOZKOKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-32-19-8-6-18(7-9-19)24-27-23(33-28-24)11-10-22(31)26-12-13-29-14-16-30(17-15-29)21-5-3-2-4-20(21)25/h2-9H,10-17H2,1H3,(H,26,31).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 453.52 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3236100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).