2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid

C18H20N4O3S — CID 174743410

IUPAC2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1
InChIInChI=1S/C18H20N4O3S/c23-17(24)11-21-6-8-22(9-7-21)18-19-15(12-26-18)14-10-16(25-20-14)13-4-2-1-3-5-13/h2,4-5,10,12H,1,3,6-9,11H2,(H,23,24)
InChIKeyOKFZZKPXVDJZIF-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.74
Rot. Bonds5

About 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid

2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid (PubChem CID 174743410) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid
PubChem CID174743410
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1
InChIInChI=1S/C18H20N4O3S/c23-17(24)11-21-6-8-22(9-7-21)18-19-15(12-26-18)14-10-16(25-20-14)13-4-2-1-3-5-13/h2,4-5,10,12H,1,3,6-9,11H2,(H,23,24)
InChIKeyOKFZZKPXVDJZIF-UHFFFAOYSA-N
XLogP2.74
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid with MolForge

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Related Compounds

5-cyclohexa-1,5-dien-1-yl-3-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1,2-oxazole
CID 68742005
4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 67235672
2-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 83152482
3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid
CID 121448158
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719
4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 122668603
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
2-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65270203
2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide
CID 1447479
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1447304
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68778558

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid (CID 174743410) is 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1.
What is the InChIKey of 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid?
The InChIKey is OKFZZKPXVDJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-17(24)11-21-6-8-22(9-7-21)18-19-15(12-26-18)14-10-16(25-20-14)13-4-2-1-3-5-13/h2,4-5,10,12H,1,3,6-9,11H2,(H,23,24).
What are the key properties of 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid?
2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid has a molecular weight of 372.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 174743410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).