2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

C18H25N5O2 — CID 167962986

IUPAC2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(CNC(=O)CN1CCN(C)CC1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H25N5O2/c1-14(12-19-16(24)13-23-10-8-22(2)9-11-23)18-20-17(21-25-18)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,24)
InChIKeyKQNMBTPNYRQFRD-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.20
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide (PubChem CID 167962986) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
PubChem CID167962986
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(CNC(=O)CN1CCN(C)CC1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H25N5O2/c1-14(12-19-16(24)13-23-10-8-22(2)9-11-23)18-20-17(21-25-18)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,24)
InChIKeyKQNMBTPNYRQFRD-UHFFFAOYSA-N
XLogP1.20
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 166250559
1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 46406315
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55432670
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 97074910
5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 97098367
N-(4-bromo-2-methylphenyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 55703113
3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123390
N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
CID 78898091
3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-phenylpropanamide
CID 46406200

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide (CID 167962986) is 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide is CC(CNC(=O)CN1CCN(C)CC1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The InChIKey is KQNMBTPNYRQFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(12-19-16(24)13-23-10-8-22(2)9-11-23)18-20-17(21-25-18)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,19,24).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 167962986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).