3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole

C10H17N3O — CID 82670180

IUPAC3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole
SMILESCc1noc(N2CCNCC2C)c1C
InChIInChI=1S/C10H17N3O/c1-7-6-11-4-5-13(7)10-8(2)9(3)12-14-10/h7,11H,4-6H2,1-3H3
InChIKeyQYJQCOLPDNQPFX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.09
Rot. Bonds1

About 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole

3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole (PubChem CID 82670180) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole
PubChem CID82670180
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole
SMILESCc1noc(N2CCNCC2C)c1C
InChIInChI=1S/C10H17N3O/c1-7-6-11-4-5-13(7)10-8(2)9(3)12-14-10/h7,11H,4-6H2,1-3H3
InChIKeyQYJQCOLPDNQPFX-UHFFFAOYSA-N
XLogP1.09
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(2-methylpiperazin-1-yl)pyrimidine
CID 82669790
4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261
3-[(2S)-2-methylpiperazin-1-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 70649668
2-[(2S)-2-methylpiperazin-1-yl]-1,3-oxazole
CID 151453057
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
2-methyl-4-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 94587097
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 124570591
5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 89340460
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 96808511
2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
CID 82669209
2-(2-methylpiperazin-1-yl)pyrimidin-5-ol
CID 67037782

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole (CID 82670180) is 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole is Cc1noc(N2CCNCC2C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole?
The InChIKey is QYJQCOLPDNQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-6-11-4-5-13(7)10-8(2)9(3)12-14-10/h7,11H,4-6H2,1-3H3.
What are the key properties of 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole?
3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole has a molecular weight of 195.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole is sourced from PubChem (CID 82670180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).