1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

C12H16N4O5 — CID 106389297

IUPAC1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)N2CC(=O)NCC2C(=O)O)o1
InChIInChI=1S/C12H16N4O5/c1-6-3-14-10(21-6)7(2)15-12(20)16-5-9(17)13-4-8(16)11(18)19/h3,7-8H,4-5H2,1-2H3,(H,13,17)(H,15,20)(H,18,19)
InChIKeyRVRAHHACJFHDBK-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.36
Rot. Bonds3

About 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 106389297) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID106389297
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)N2CC(=O)NCC2C(=O)O)o1
InChIInChI=1S/C12H16N4O5/c1-6-3-14-10(21-6)7(2)15-12(20)16-5-9(17)13-4-8(16)11(18)19/h3,7-8H,4-5H2,1-2H3,(H,13,17)(H,15,20)(H,18,19)
InChIKeyRVRAHHACJFHDBK-UHFFFAOYSA-N
XLogP-0.36
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 106389297) is 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is Cc1cnc(C(C)NC(=O)N2CC(=O)NCC2C(=O)O)o1.
What is the InChIKey of 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is RVRAHHACJFHDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c1-6-3-14-10(21-6)7(2)15-12(20)16-5-9(17)13-4-8(16)11(18)19/h3,7-8H,4-5H2,1-2H3,(H,13,17)(H,15,20)(H,18,19).
What are the key properties of 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 106389297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).