N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide

C11H19N5O2 — CID 106402516

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCc1nc(CNC(=O)C(C)N2CCNCC2)no1
InChIInChI=1S/C11H19N5O2/c1-8(16-5-3-12-4-6-16)11(17)13-7-10-14-9(2)18-15-10/h8,12H,3-7H2,1-2H3,(H,13,17)
InChIKeyPIDBLCCLNWNOBE-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.71
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide (PubChem CID 106402516) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
PubChem CID106402516
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCc1nc(CNC(=O)C(C)N2CCNCC2)no1
InChIInChI=1S/C11H19N5O2/c1-8(16-5-3-12-4-6-16)11(17)13-7-10-14-9(2)18-15-10/h8,12H,3-7H2,1-2H3,(H,13,17)
InChIKeyPIDBLCCLNWNOBE-UHFFFAOYSA-N
XLogP-0.71
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
CID 106410052
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 114180578
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 106396639
(2R)-N-(furan-2-ylmethyl)-2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanamide
CID 98765728
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
(2R)-2-amino-3,3-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106396531
4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 113266923
N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
CID 83121763
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide (CID 106402516) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide is Cc1nc(CNC(=O)C(C)N2CCNCC2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
The InChIKey is PIDBLCCLNWNOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(16-5-3-12-4-6-16)11(17)13-7-10-14-9(2)18-15-10/h8,12H,3-7H2,1-2H3,(H,13,17).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide has a molecular weight of 253.31 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 106402516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).