methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate

C11H15N3O4 — CID 78904854

IUPACmethyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc(C)no2)CC1
InChIInChI=1S/C11H15N3O4/c1-8-7-9(18-12-8)10(15)13-3-5-14(6-4-13)11(16)17-2/h7H,3-6H2,1-2H3
InChIKeyBNTDBJXOWLWTFW-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.51
Rot. Bonds1

About methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate

methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate (PubChem CID 78904854) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
PubChem CID78904854
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc(C)no2)CC1
InChIInChI=1S/C11H15N3O4/c1-8-7-9(18-12-8)10(15)13-3-5-14(6-4-13)11(16)17-2/h7H,3-6H2,1-2H3
InChIKeyBNTDBJXOWLWTFW-UHFFFAOYSA-N
XLogP0.51
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
(3-methyl-1,2-oxazol-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 43060282
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27852116
N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide
CID 55838607
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56796895
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate (CID 78904854) is methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2cc(C)no2)CC1.
What is the InChIKey of methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is BNTDBJXOWLWTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8-7-9(18-12-8)10(15)13-3-5-14(6-4-13)11(16)17-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate?
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 78904854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).