3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine

C22H17N15O3 — CID 141037710

IUPAC3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
SMILESc1c[nH]c(-c2cnc(C3(c4cn[nH]n4)ON(c4ncco4)C(c4ccon4)(c4nn[nH]n4)N3c3ccc[nH]3)[nH]2)c1
InChIInChI=1S/C22H17N15O3/c1-3-13(23-6-1)14-11-26-19(28-14)22(16-12-27-33-29-16)36(17-4-2-7-24-17)21(15-5-9-39-32-15,18-30-34-35-31-18)37(40-22)20-25-8-10-38-20/h1-12,23-24H,(H,26,28)(H,27,29,33)(H,30,31,34,35)
InChIKeyCGZJYDWWVAYECR-UHFFFAOYSA-N
MW539.48 g/mol
LogP1.40
Rot. Bonds7

About 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine

3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine (PubChem CID 141037710) has the molecular formula C22H17N15O3 and a molecular weight of 539.48 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
PubChem CID141037710
Molecular FormulaC22H17N15O3
Molecular Weight539.48 g/mol
Exact Mass539.16
IUPAC Name3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
SMILESc1c[nH]c(-c2cnc(C3(c4cn[nH]n4)ON(c4ncco4)C(c4ccon4)(c4nn[nH]n4)N3c3ccc[nH]3)[nH]2)c1
InChIInChI=1S/C22H17N15O3/c1-3-13(23-6-1)14-11-26-19(28-14)22(16-12-27-33-29-16)36(17-4-2-7-24-17)21(15-5-9-39-32-15,18-30-34-35-31-18)37(40-22)20-25-8-10-38-20/h1-12,23-24H,(H,26,28)(H,27,29,33)(H,30,31,34,35)
InChIKeyCGZJYDWWVAYECR-UHFFFAOYSA-N
XLogP1.40
TPSA224.06 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.48
LogP ≤ 51.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine with MolForge

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Related Compounds

3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-5-[5-(1,3-thiazol-2-yl)-1H-imidazol-2-yl]-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine
CID 141021709
2-[[5-(1H-imidazol-2-ylmethyl)-6-(1,2-oxazol-3-ylmethyl)-2-(pyridazin-3-ylmethyl)-3-(pyridin-2-ylmethyl)-2H-pyrazin-1-yl]methyl]-1,3-oxazole
CID 141212962
ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
CID 157159026
1-tert-butylcyclopenta-1,3-diene;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;1-tert-butyltetrazole;4-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-4H-triazole
CID 158187774
2,5-dimethyl-3-propan-2-yl-1H-pyrazol-2-ium;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole
CID 159108525
1-tert-butylcyclopenta-1,3-diene;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-imidazole);3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butyltriazole;4-tert-butyl-2H-triazole;methane
CID 159877118
ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
CID 160857858
aminomethylidene-methanimidoyl-propan-2-ylazanium;2-(aminomethylidene)-3-methylbutanal;N-diazenyl-N-propan-2-ylmethanimidamide;ethane;methane;(Z)-2-propan-2-ylbut-2-en-1-imine;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
CID 163628657

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine?
The IUPAC name of 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine (CID 141037710) is 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine is c1c[nH]c(-c2cnc(C3(c4cn[nH]n4)ON(c4ncco4)C(c4ccon4)(c4nn[nH]n4)N3c3ccc[nH]3)[nH]2)c1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine?
The InChIKey is CGZJYDWWVAYECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N15O3/c1-3-13(23-6-1)14-11-26-19(28-14)22(16-12-27-33-29-16)36(17-4-2-7-24-17)21(15-5-9-39-32-15,18-30-34-35-31-18)37(40-22)20-25-8-10-38-20/h1-12,23-24H,(H,26,28)(H,27,29,33)(H,30,31,34,35).
What are the key properties of 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine?
3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine has a molecular weight of 539.48 g/mol, XLogP of 1.40, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]-3-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,2,4-oxadiazolidine is sourced from PubChem (CID 141037710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).