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

C11H14N4O5 — CID 106374589

IUPAC1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1cnc(CNC(=O)N2CC(=O)NCC2C(=O)O)o1
InChIInChI=1S/C11H14N4O5/c1-6-2-13-9(20-6)4-14-11(19)15-5-8(16)12-3-7(15)10(17)18/h2,7H,3-5H2,1H3,(H,12,16)(H,14,19)(H,17,18)
InChIKeyDHCKYRJTPVXBRM-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.92
Rot. Bonds3

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

1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 106374589) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID106374589
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1cnc(CNC(=O)N2CC(=O)NCC2C(=O)O)o1
InChIInChI=1S/C11H14N4O5/c1-6-2-13-9(20-6)4-14-11(19)15-5-8(16)12-3-7(15)10(17)18/h2,7H,3-5H2,1H3,(H,12,16)(H,14,19)(H,17,18)
InChIKeyDHCKYRJTPVXBRM-UHFFFAOYSA-N
XLogP-0.92
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 106374589) is 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is Cc1cnc(CNC(=O)N2CC(=O)NCC2C(=O)O)o1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is DHCKYRJTPVXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-6-2-13-9(20-6)4-14-11(19)15-5-8(16)12-3-7(15)10(17)18/h2,7H,3-5H2,1H3,(H,12,16)(H,14,19)(H,17,18).
What are the key properties of 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 106374589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).