5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid

C16H20N4O3 — CID 163317260

IUPAC5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(NCCN2CCNCC2)noc1-c1ccccc1
InChIInChI=1S/C16H20N4O3/c21-16(22)13-14(12-4-2-1-3-5-12)23-19-15(13)18-8-11-20-9-6-17-7-10-20/h1-5,17H,6-11H2,(H,18,19)(H,21,22)
InChIKeyFGMFOJFOLJTIHO-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.36
Rot. Bonds6

About 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid

5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid (PubChem CID 163317260) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid
PubChem CID163317260
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(NCCN2CCNCC2)noc1-c1ccccc1
InChIInChI=1S/C16H20N4O3/c21-16(22)13-14(12-4-2-1-3-5-12)23-19-15(13)18-8-11-20-9-6-17-7-10-20/h1-5,17H,6-11H2,(H,18,19)(H,21,22)
InChIKeyFGMFOJFOLJTIHO-UHFFFAOYSA-N
XLogP1.36
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 166615660
5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid
CID 135091251
3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
CID 119393897
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
CID 59867380
acetic acid;5-(4-methoxyphenyl)-3-(piperidin-4-ylmethylamino)-1,2-oxazole-4-carboxylic acid
CID 154916482
4-(2-piperazin-1-ylethylamino)benzoic acid
CID 62230184
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
CID 114214142
5-phenyl-N-(2-piperazin-1-ylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 11684933
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108874901
2,2-dimethyl-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446443

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid (CID 163317260) is 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(NCCN2CCNCC2)noc1-c1ccccc1.
What is the InChIKey of 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid?
The InChIKey is FGMFOJFOLJTIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(22)13-14(12-4-2-1-3-5-12)23-19-15(13)18-8-11-20-9-6-17-7-10-20/h1-5,17H,6-11H2,(H,18,19)(H,21,22).
What are the key properties of 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid?
5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 163317260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).