5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C9H11N3O4 — CID 61397934

IUPAC5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C1CN(Cc2cc(C(=O)O)no2)CCN1
InChIInChI=1S/C9H11N3O4/c13-8-5-12(2-1-10-8)4-6-3-7(9(14)15)11-16-6/h3H,1-2,4-5H2,(H,10,13)(H,14,15)
InChIKeySZNVVAXAKSSPOV-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.70
Rot. Bonds3

About 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397934) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397934
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C1CN(Cc2cc(C(=O)O)no2)CCN1
InChIInChI=1S/C9H11N3O4/c13-8-5-12(2-1-10-8)4-6-3-7(9(14)15)11-16-6/h3H,1-2,4-5H2,(H,10,13)(H,14,15)
InChIKeySZNVVAXAKSSPOV-UHFFFAOYSA-N
XLogP-0.70
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-oxo-1,4-diazepan-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 63003611
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397903
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397824
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63568674
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 62937964
5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397847
4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one
CID 82507792

Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397934) is 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is O=C1CN(Cc2cc(C(=O)O)no2)CCN1.
What is the InChIKey of 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is SZNVVAXAKSSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-8-5-12(2-1-10-8)4-6-3-7(9(14)15)11-16-6/h3H,1-2,4-5H2,(H,10,13)(H,14,15).
What are the key properties of 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).