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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Related Compounds

2-[(2S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 95358156
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034409
2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 115596375
2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034046
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416021
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62033494
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 105063202
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818

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).