[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine

C11H20N4O — CID 80505800

IUPAC[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
SMILESCc1cc(CN2CCN(C)CC2CN)on1
InChIInChI=1S/C11H20N4O/c1-9-5-11(16-13-9)8-15-4-3-14(2)7-10(15)6-12/h5,10H,3-4,6-8,12H2,1-2H3
InChIKeyYRLMLFHGSUVNLA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.06
Rot. Bonds3

About [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine

[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine (PubChem CID 80505800) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
PubChem CID80505800
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
SMILESCc1cc(CN2CCN(C)CC2CN)on1
InChIInChI=1S/C11H20N4O/c1-9-5-11(16-13-9)8-15-4-3-14(2)7-10(15)6-12/h5,10H,3-4,6-8,12H2,1-2H3
InChIKeyYRLMLFHGSUVNLA-UHFFFAOYSA-N
XLogP0.06
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
3-methyl-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,2-oxazole
CID 14009815
Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
Isoxazole, 5-methyl-3-(2-piperidinoethyl)-, hydrochloride
CID 13687
((2S,4S)-4-fluoro-1-((3-methyl-1,2-oxazol-5-yl)methyl)pyrrolidin-2-yl)methanamine
CID 119030869
Methyl((5-methyl-1,2-oxazol-3-yl)methyl)amine
CID 23006273
Methyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine hydrochloride
CID 45595353
3-methyl-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 17095595
5-(Methylethyl)-3-(piperazinylmethyl)isoxazole
CID 25248462
1-{[3-(Methylethyl)isoxazol-5-yl]methyl}-4-piperidylamine
CID 25248465
1-{[5-(Methylethyl)isoxazol-3-yl]methyl}-4-piperidylamine
CID 25248466
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine (CID 80505800) is [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine is Cc1cc(CN2CCN(C)CC2CN)on1.
What is the InChIKey of [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine?
The InChIKey is YRLMLFHGSUVNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-5-11(16-13-9)8-15-4-3-14(2)7-10(15)6-12/h5,10H,3-4,6-8,12H2,1-2H3.
What are the key properties of [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine?
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 80505800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).