3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole

C18H13N9O2S — CID 141189069

IUPAC3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole
SMILESc1c[nH]c(C2(c3ncco3)C(c3cn[nH]n3)=C(c3nccs3)ON2c2ccn[nH]2)c1
InChIInChI=1S/C18H13N9O2S/c1-2-12(19-4-1)18(17-21-6-8-28-17)14(11-10-23-26-24-11)15(16-20-7-9-30-16)29-27(18)13-3-5-22-25-13/h1-10,19H,(H,22,25)(H,23,24,26)
InChIKeyLQISNKSYHVQFSY-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.56
Rot. Bonds5

About 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole

3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole (PubChem CID 141189069) has the molecular formula C18H13N9O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole
PubChem CID141189069
Molecular FormulaC18H13N9O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC Name3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole
SMILESc1c[nH]c(C2(c3ncco3)C(c3cn[nH]n3)=C(c3nccs3)ON2c2ccn[nH]2)c1
InChIInChI=1S/C18H13N9O2S/c1-2-12(19-4-1)18(17-21-6-8-28-17)14(11-10-23-26-24-11)15(16-20-7-9-30-16)29-27(18)13-3-5-22-25-13/h1-10,19H,(H,22,25)(H,23,24,26)
InChIKeyLQISNKSYHVQFSY-UHFFFAOYSA-N
XLogP2.56
TPSA137.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole with MolForge

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Related Compounds

4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine
CID 141017945
3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine
CID 141019121
2-[6-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-2-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-4-yl]-1,3-oxazole
CID 141192924
3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(2H-tetrazol-5-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
CID 141195749
3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole
CID 141207619
3-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine
CID 141283210
4-[3-(1H-imidazol-2-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)azetidin-2-yl]oxadiazole
CID 141309853
4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-1,2-oxazolidine
CID 141325334
2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 141429361

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole (CID 141189069) is 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole is c1c[nH]c(C2(c3ncco3)C(c3cn[nH]n3)=C(c3nccs3)ON2c2ccn[nH]2)c1.
What is the InChIKey of 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole?
The InChIKey is LQISNKSYHVQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N9O2S/c1-2-12(19-4-1)18(17-21-6-8-28-17)14(11-10-23-26-24-11)15(16-20-7-9-30-16)29-27(18)13-3-5-22-25-13/h1-10,19H,(H,22,25)(H,23,24,26).
What are the key properties of 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole?
3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole has a molecular weight of 419.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-4-(2H-triazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 141189069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).