3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one

C14H21N3O3 — CID 63608094

IUPAC3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one
SMILESCc1noc(C(C)C)c1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)11-10(9(3)16-20-11)12(18)17-7-6-15-13(19)14(17,4)5/h8H,6-7H2,1-5H3,(H,15,19)
InChIKeyJYXZYTBWUKYKTM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.46
Rot. Bonds2

About 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one

3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one (PubChem CID 63608094) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one
PubChem CID63608094
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one
SMILESCc1noc(C(C)C)c1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)11-10(9(3)16-20-11)12(18)17-7-6-15-13(19)14(17,4)5/h8H,6-7H2,1-5H3,(H,15,19)
InChIKeyJYXZYTBWUKYKTM-UHFFFAOYSA-N
XLogP1.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one (CID 63608094) is 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one is Cc1noc(C(C)C)c1C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one?
The InChIKey is JYXZYTBWUKYKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)11-10(9(3)16-20-11)12(18)17-7-6-15-13(19)14(17,4)5/h8H,6-7H2,1-5H3,(H,15,19).
What are the key properties of 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one has a molecular weight of 279.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 63608094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).