N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide

C19H25ClFN5O2 — CID 30891238

IUPACN-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(C)c1noc(CN2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C19H25ClFN5O2/c1-13(2)19-23-18(28-24-19)12-26-9-7-25(8-10-26)6-5-17(27)22-16-4-3-14(20)11-15(16)21/h3-4,11,13H,5-10,12H2,1-2H3,(H,22,27)
InChIKeyUCQWHRXTBZMBBX-UHFFFAOYSA-N
MW409.89 g/mol
LogP3.13
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide

N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 30891238) has the molecular formula C19H25ClFN5O2 and a molecular weight of 409.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
PubChem CID30891238
Molecular FormulaC19H25ClFN5O2
Molecular Weight409.89 g/mol
Exact Mass409.17
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(C)c1noc(CN2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C19H25ClFN5O2/c1-13(2)19-23-18(28-24-19)12-26-9-7-25(8-10-26)6-5-17(27)22-16-4-3-14(20)11-15(16)21/h3-4,11,13H,5-10,12H2,1-2H3,(H,22,27)
InChIKeyUCQWHRXTBZMBBX-UHFFFAOYSA-N
XLogP3.13
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide (CID 30891238) is N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide is CC(C)c1noc(CN2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)n1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is UCQWHRXTBZMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN5O2/c1-13(2)19-23-18(28-24-19)12-26-9-7-25(8-10-26)6-5-17(27)22-16-4-3-14(20)11-15(16)21/h3-4,11,13H,5-10,12H2,1-2H3,(H,22,27).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 409.89 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30891238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).