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

C13H8N10O2 — CID 141135912

IUPAC4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole
SMILESc1c[nH]c(-c2nn(-c3nn[nH]n3)c(-c3ncco3)c2-c2conn2)c1
InChIInChI=1S/C13H8N10O2/c1-2-7(14-3-1)10-9(8-6-25-22-16-8)11(12-15-4-5-24-12)23(19-10)13-17-20-21-18-13/h1-6,14H,(H,17,18,20,21)
InChIKeyOLRMXAVLKCNGPO-UHFFFAOYSA-N
MW336.28 g/mol
LogP1.09
Rot. Bonds4

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

4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole (PubChem CID 141135912) has the molecular formula C13H8N10O2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole
PubChem CID141135912
Molecular FormulaC13H8N10O2
Molecular Weight336.28 g/mol
Exact Mass336.08
IUPAC Name4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole
SMILESc1c[nH]c(-c2nn(-c3nn[nH]n3)c(-c3ncco3)c2-c2conn2)c1
InChIInChI=1S/C13H8N10O2/c1-2-7(14-3-1)10-9(8-6-25-22-16-8)11(12-15-4-5-24-12)23(19-10)13-17-20-21-18-13/h1-6,14H,(H,17,18,20,21)
InChIKeyOLRMXAVLKCNGPO-UHFFFAOYSA-N
XLogP1.09
TPSA153.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole
CID 136650514
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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole?
The IUPAC name of 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole (CID 141135912) is 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole.
What is the SMILES notation for 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole?
The canonical SMILES for 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole is c1c[nH]c(-c2nn(-c3nn[nH]n3)c(-c3ncco3)c2-c2conn2)c1.
What is the InChIKey of 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole?
The InChIKey is OLRMXAVLKCNGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N10O2/c1-2-7(14-3-1)10-9(8-6-25-22-16-8)11(12-15-4-5-24-12)23(19-10)13-17-20-21-18-13/h1-6,14H,(H,17,18,20,21).
What are the key properties of 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole?
4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole has a molecular weight of 336.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-4-yl]oxadiazole is sourced from PubChem (CID 141135912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).