N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

C19H25F2N5O3 — CID 30703621

IUPACN-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)c1noc(CN2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)n1
InChIInChI=1S/C19H25F2N5O3/c1-13(2)18-23-17(29-24-18)12-26-9-7-25(8-10-26)11-16(27)22-14-3-5-15(6-4-14)28-19(20)21/h3-6,13,19H,7-12H2,1-2H3,(H,22,27)
InChIKeyHXLJBSNVHWRCRH-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.55
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30703621) has the molecular formula C19H25F2N5O3 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30703621
Molecular FormulaC19H25F2N5O3
Molecular Weight409.44 g/mol
Exact Mass409.19
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(C)c1noc(CN2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)n1
InChIInChI=1S/C19H25F2N5O3/c1-13(2)18-23-17(29-24-18)12-26-9-7-25(8-10-26)11-16(27)22-14-3-5-15(6-4-14)28-19(20)21/h3-6,13,19H,7-12H2,1-2H3,(H,22,27)
InChIKeyHXLJBSNVHWRCRH-UHFFFAOYSA-N
XLogP2.55
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048633
N-(3-iodophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30890856
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60508798
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 30891247
N-phenyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 30891217
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048672
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30588711
N-(4-fluorophenyl)-2-[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 55410758
N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 43048679
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9131152
N-(4-fluorophenyl)-2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 45281436
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 33205271

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 30703621) is N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is CC(C)c1noc(CN2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)n1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is HXLJBSNVHWRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O3/c1-13(2)18-23-17(29-24-18)12-26-9-7-25(8-10-26)11-16(27)22-14-3-5-15(6-4-14)28-19(20)21/h3-6,13,19H,7-12H2,1-2H3,(H,22,27).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30703621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).