3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid

C10H13N3O4 — CID 107368983

IUPAC3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C10H13N3O4/c1-12-2-4-13(5-3-12)9(14)7-6-8(10(15)16)17-11-7/h6H,2-5H2,1H3,(H,15,16)
InChIKeySSKRJQYZNBGETI-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.24
Rot. Bonds2

About 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid

3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107368983) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107368983
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C10H13N3O4/c1-12-2-4-13(5-3-12)9(14)7-6-8(10(15)16)17-11-7/h6H,2-5H2,1H3,(H,15,16)
InChIKeySSKRJQYZNBGETI-UHFFFAOYSA-N
XLogP-0.24
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368970
3-(4-acetyl-1,4-diazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369448
3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368967
(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 117214996
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370093
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369765
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862422

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (CID 107368983) is 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is CN1CCN(C(=O)c2cc(C(=O)O)on2)CC1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is SSKRJQYZNBGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-12-2-4-13(5-3-12)9(14)7-6-8(10(15)16)17-11-7/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107368983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).