(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone

C9H13N3O2 — CID 62671508

IUPAC(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccon1
InChIInChI=1S/C9H13N3O2/c1-7-6-10-3-4-12(7)9(13)8-2-5-14-11-8/h2,5,7,10H,3-4,6H2,1H3
InChIKeyCEFPFATXQUGAQJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.11
Rot. Bonds1

About (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone

(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone (PubChem CID 62671508) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
PubChem CID62671508
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccon1
InChIInChI=1S/C9H13N3O2/c1-7-6-10-3-4-12(7)9(13)8-2-5-14-11-8/h2,5,7,10H,3-4,6H2,1H3
InChIKeyCEFPFATXQUGAQJ-UHFFFAOYSA-N
XLogP0.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(5-methylfuran-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704923
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119470971
(2-methylpiperazin-1-yl)-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119473005
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 126766991
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119472822
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone (CID 62671508) is (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone is CC1CNCCN1C(=O)c1ccon1.
What is the InChIKey of (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone?
The InChIKey is CEFPFATXQUGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7-6-10-3-4-12(7)9(13)8-2-5-14-11-8/h2,5,7,10H,3-4,6H2,1H3.
What are the key properties of (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone?
(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 62671508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).