(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

C10H15N3O2 — CID 81428158

IUPAC(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@@H](C)C2)no1
InChIInChI=1S/C10H15N3O2/c1-7-6-13(4-3-11-7)10(14)9-5-8(2)15-12-9/h5,7,11H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyQUJAOTNUENMBSS-ZETCQYMHSA-N
MW209.25 g/mol
LogP0.42
Rot. Bonds1

About (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 81428158) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID81428158
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@@H](C)C2)no1
InChIInChI=1S/C10H15N3O2/c1-7-6-13(4-3-11-7)10(14)9-5-8(2)15-12-9/h5,7,11H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyQUJAOTNUENMBSS-ZETCQYMHSA-N
XLogP0.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66201861
(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119578302
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 114269672
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580992
(1-tert-butyl-5-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124694981
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 81428158) is (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN[C@@H](C)C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is QUJAOTNUENMBSS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-6-13(4-3-11-7)10(14)9-5-8(2)15-12-9/h5,7,11H,3-4,6H2,1-2H3/t7-/m0/s1.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 209.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81428158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).