3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide

C19H25N5O3 — CID 110605942

IUPAC3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)NCC(=O)N2CCN(C)CC2)c2ccccc2)o1
InChIInChI=1S/C19H25N5O3/c1-14-21-22-19(27-14)16(15-6-4-3-5-7-15)12-17(25)20-13-18(26)24-10-8-23(2)9-11-24/h3-7,16H,8-13H2,1-2H3,(H,20,25)
InChIKeyVHBBFFOCEOSWGO-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.79
Rot. Bonds6

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide

3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 110605942) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide
PubChem CID110605942
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)NCC(=O)N2CCN(C)CC2)c2ccccc2)o1
InChIInChI=1S/C19H25N5O3/c1-14-21-22-19(27-14)16(15-6-4-3-5-7-15)12-17(25)20-13-18(26)24-10-8-23(2)9-11-24/h3-7,16H,8-13H2,1-2H3,(H,20,25)
InChIKeyVHBBFFOCEOSWGO-UHFFFAOYSA-N
XLogP0.79
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 110407002
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
N-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415634
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 110414952
ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
CID 110413335
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 110627823
N-[(1,2-dimethylindol-5-yl)methyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110613618
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110421688
N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110416583
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
CID 110620271

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide (CID 110605942) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide is Cc1nnc(C(CC(=O)NCC(=O)N2CCN(C)CC2)c2ccccc2)o1.
What is the InChIKey of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is VHBBFFOCEOSWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14-21-22-19(27-14)16(15-6-4-3-5-7-15)12-17(25)20-13-18(26)24-10-8-23(2)9-11-24/h3-7,16H,8-13H2,1-2H3,(H,20,25).
What are the key properties of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide?
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 110605942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).