2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid

C13H17N3O5 — CID 62033684

IUPAC2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCCc1noc(C)c1C(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C13H17N3O5/c1-3-8-11(7(2)21-15-8)13(20)16-5-4-14-12(19)9(16)6-10(17)18/h9H,3-6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyHRBXKJNFKJYSEV-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.04
Rot. Bonds4

About 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 62033684) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID62033684
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCCc1noc(C)c1C(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C13H17N3O5/c1-3-8-11(7(2)21-15-8)13(20)16-5-4-14-12(19)9(16)6-10(17)18/h9H,3-6H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyHRBXKJNFKJYSEV-UHFFFAOYSA-N
XLogP-0.04
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid (CID 62033684) is 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid is CCc1noc(C)c1C(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is HRBXKJNFKJYSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-3-8-11(7(2)21-15-8)13(20)16-5-4-14-12(19)9(16)6-10(17)18/h9H,3-6H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 62033684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).