1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone

C12H17N3O3 — CID 110684804

IUPAC1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C12H17N3O3/c1-8-11(18-9(2)13-8)12(17)15-6-4-14(5-7-15)10(3)16/h4-7H2,1-3H3
InChIKeyRFABLSXLELEWBF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.60
Rot. Bonds1

About 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone

1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110684804) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID110684804
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2oc(C)nc2C)CC1
InChIInChI=1S/C12H17N3O3/c1-8-11(18-9(2)13-8)12(17)15-6-4-14(5-7-15)10(3)16/h4-7H2,1-3H3
InChIKeyRFABLSXLELEWBF-UHFFFAOYSA-N
XLogP0.60
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethyl-1,3-oxazol-5-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154923232
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 81484912
1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81367808
8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79164760
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 99608759
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574481
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 120809881
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131899711
(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110684621
[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92595893
[(3S)-3-(dimethylamino)azepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 70774249
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 114801438

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone (CID 110684804) is 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2oc(C)nc2C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RFABLSXLELEWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-11(18-9(2)13-8)12(17)15-6-4-14(5-7-15)10(3)16/h4-7H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 251.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110684804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).