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

C12H20N4O2 — CID 114180578

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCc1cnc(CNC(=O)C(C)N2CCNCC2)o1
InChIInChI=1S/C12H20N4O2/c1-9-7-14-11(18-9)8-15-12(17)10(2)16-5-3-13-4-6-16/h7,10,13H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyVODMLMGFPUISBT-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.11
Rot. Bonds4

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide (PubChem CID 114180578) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
PubChem CID114180578
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCc1cnc(CNC(=O)C(C)N2CCNCC2)o1
InChIInChI=1S/C12H20N4O2/c1-9-7-14-11(18-9)8-15-12(17)10(2)16-5-3-13-4-6-16/h7,10,13H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyVODMLMGFPUISBT-UHFFFAOYSA-N
XLogP-0.11
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 106402516
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
2-(azetidin-3-ylidene)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371486
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 113266895
2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106372293
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide (CID 114180578) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide is Cc1cnc(CNC(=O)C(C)N2CCNCC2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide?
The InChIKey is VODMLMGFPUISBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-7-14-11(18-9)8-15-12(17)10(2)16-5-3-13-4-6-16/h7,10,13H,3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide has a molecular weight of 252.32 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 114180578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).