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

C12H17N3O4 — CID 107368967

IUPAC3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCCCN1CCN(C(=O)c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C12H17N3O4/c1-2-3-14-4-6-15(7-5-14)11(16)9-8-10(12(17)18)19-13-9/h8H,2-7H2,1H3,(H,17,18)
InChIKeyMGEHKYNZGGFIRI-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.54
Rot. Bonds4

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

3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107368967) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107368967
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESCCCN1CCN(C(=O)c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C12H17N3O4/c1-2-3-14-4-6-15(7-5-14)11(16)9-8-10(12(17)18)19-13-9/h8H,2-7H2,1H3,(H,17,18)
InChIKeyMGEHKYNZGGFIRI-UHFFFAOYSA-N
XLogP0.54
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368983
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
(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane
CID 143166573
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369393
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370093
3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369765
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369808
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (CID 107368967) is 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is CCCN1CCN(C(=O)c2cc(C(=O)O)on2)CC1.
What is the InChIKey of 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is MGEHKYNZGGFIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-3-14-4-6-15(7-5-14)11(16)9-8-10(12(17)18)19-13-9/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107368967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).