(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone

C11H17N3O2 — CID 79506581

IUPAC(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H17N3O2/c1-8-9(16-7-12-8)10(15)14-5-4-13-11(2,3)6-14/h7,13H,4-6H2,1-3H3
InChIKeyAUZNIFXDOVQZCT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.81
Rot. Bonds1

About (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone

(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 79506581) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID79506581
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H17N3O2/c1-8-9(16-7-12-8)10(15)14-5-4-13-11(2,3)6-14/h7,13H,4-6H2,1-3H3
InChIKeyAUZNIFXDOVQZCT-UHFFFAOYSA-N
XLogP0.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 79507269
(2,6-dihydroxyphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 107688424
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
3,3-dimethyl-1-[4-(4-methyl-1,3-oxazole-5-carbonyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl]butan-1-one
CID 171318333
(3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 167812164
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493
1-[(3R,4R)-3-hydroxy-3-methyl-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146704
(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506872
(3,3-dimethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 79014932
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255
(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
2,3-dihydro-1,4-benzodioxin-5-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506782

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone (CID 79506581) is (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCNC(C)(C)C1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is AUZNIFXDOVQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-9(16-7-12-8)10(15)14-5-4-13-11(2,3)6-14/h7,13H,4-6H2,1-3H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone?
(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 79506581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).