4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole

C21H14N12O3 — CID 141135938

IUPAC4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole
SMILESc1c[nH]c(C2=C(c3conn3)C(c3ccon3)=C(c3ncco3)N(c3nn[nH]n3)C2c2ccn[nH]2)c1
InChIInChI=1S/C21H14N12O3/c1-2-11(22-5-1)16-15(14-10-36-32-26-14)17(12-4-8-35-29-12)19(20-23-7-9-34-20)33(21-27-30-31-28-21)18(16)13-3-6-24-25-13/h1-10,18,22H,(H,24,25)(H,27,28,30,31)
InChIKeyCECRBCUNUIUZRU-UHFFFAOYSA-N
MW482.42 g/mol
LogP2.35
Rot. Bonds6

About 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole

4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole (PubChem CID 141135938) has the molecular formula C21H14N12O3 and a molecular weight of 482.42 g/mol. Its IUPAC name is 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole
PubChem CID141135938
Molecular FormulaC21H14N12O3
Molecular Weight482.42 g/mol
Exact Mass482.13
IUPAC Name4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole
SMILESc1c[nH]c(C2=C(c3conn3)C(c3ccon3)=C(c3ncco3)N(c3nn[nH]n3)C2c2ccn[nH]2)c1
InChIInChI=1S/C21H14N12O3/c1-2-11(22-5-1)16-15(14-10-36-32-26-14)17(12-4-8-35-29-12)19(20-23-7-9-34-20)33(21-27-30-31-28-21)18(16)13-3-6-24-25-13/h1-10,18,22H,(H,24,25)(H,27,28,30,31)
InChIKeyCECRBCUNUIUZRU-UHFFFAOYSA-N
XLogP2.35
TPSA193.15 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole with MolForge

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Related Compounds

4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole
CID 141135912
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole?
The IUPAC name of 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole (CID 141135938) is 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole.
What is the SMILES notation for 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole?
The canonical SMILES for 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole is c1c[nH]c(C2=C(c3conn3)C(c3ccon3)=C(c3ncco3)N(c3nn[nH]n3)C2c2ccn[nH]2)c1.
What is the InChIKey of 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole?
The InChIKey is CECRBCUNUIUZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N12O3/c1-2-11(22-5-1)16-15(14-10-36-32-26-14)17(12-4-8-35-29-12)19(20-23-7-9-34-20)33(21-27-30-31-28-21)18(16)13-3-6-24-25-13/h1-10,18,22H,(H,24,25)(H,27,28,30,31).
What are the key properties of 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole?
4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole has a molecular weight of 482.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2H-pyridin-4-yl]oxadiazole is sourced from PubChem (CID 141135938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).