4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole

C13H11N9O2S — CID 91433419

IUPAC4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole
SMILESc1c[nH]c(N2CN(c3conn3)N(c3nccs3)N2c2ncco2)c1
InChIInChI=1S/C13H11N9O2S/c1-2-10(14-3-1)19-9-20(11-8-24-18-17-11)22(13-16-5-7-25-13)21(19)12-15-4-6-23-12/h1-8,14H,9H2
InChIKeyBHFVSDABSRMNAZ-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.88
Rot. Bonds4

About 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole

4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole (PubChem CID 91433419) has the molecular formula C13H11N9O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole.

Molecular Properties

Compound Name4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole
PubChem CID91433419
Molecular FormulaC13H11N9O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole
SMILESc1c[nH]c(N2CN(c3conn3)N(c3nccs3)N2c2ncco2)c1
InChIInChI=1S/C13H11N9O2S/c1-2-10(14-3-1)19-9-20(11-8-24-18-17-11)22(13-16-5-7-25-13)21(19)12-15-4-6-23-12/h1-8,14H,9H2
InChIKeyBHFVSDABSRMNAZ-UHFFFAOYSA-N
XLogP1.88
TPSA106.59 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole?
The IUPAC name of 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole (CID 91433419) is 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole.
What is the SMILES notation for 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole?
The canonical SMILES for 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole is c1c[nH]c(N2CN(c3conn3)N(c3nccs3)N2c2ncco2)c1.
What is the InChIKey of 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole?
The InChIKey is BHFVSDABSRMNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N9O2S/c1-2-10(14-3-1)19-9-20(11-8-24-18-17-11)22(13-16-5-7-25-13)21(19)12-15-4-6-23-12/h1-8,14H,9H2.
What are the key properties of 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole?
4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole has a molecular weight of 357.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole is sourced from PubChem (CID 91433419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).