4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole

C9H15N3O — CID 82468370

IUPAC4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESCc1coc(CN2CCNCC2)n1
InChIInChI=1S/C9H15N3O/c1-8-7-13-9(11-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKeyMJNLRBWVRFCVKI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.39
Rot. Bonds2

About 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole

4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole (PubChem CID 82468370) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
PubChem CID82468370
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESCc1coc(CN2CCNCC2)n1
InChIInChI=1S/C9H15N3O/c1-8-7-13-9(11-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKeyMJNLRBWVRFCVKI-UHFFFAOYSA-N
XLogP0.39
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-oxazole
CID 121209349
N-(cyclopropylmethyl)-2-(piperazin-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42855773
7-methyl-2-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 79601557
4-methyl-2-(piperazin-1-ylmethyl)pyrimidine
CID 63343078
4-methyl-6-(piperazin-1-ylmethyl)pyrimidin-2-amine
CID 82507434
3-methyl-6-(piperazin-1-ylmethyl)pyridazine
CID 82604790
2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 82507423
3-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62691902
4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
CID 82478157
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
1-[(4-tert-butylfuran-2-yl)methyl]piperazine
CID 58523882

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole (CID 82468370) is 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole is Cc1coc(CN2CCNCC2)n1.
What is the InChIKey of 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole?
The InChIKey is MJNLRBWVRFCVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-7-13-9(11-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3.
What are the key properties of 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole?
4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole has a molecular weight of 181.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperazin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 82468370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).