3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole

C22H22N10O2S — CID 140991330

IUPAC3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole
SMILESc1c[nH]c(S2(c3ncc[nH]3)(c3ccco3)(N3CCCC3)N=NC(c3cn[nH]n3)=C2c2ccon2)c1
InChIInChI=1S/C22H22N10O2S/c1-2-12-32(11-1)35(18-5-3-8-23-18,19-6-4-13-33-19,22-24-9-10-25-22)21(16-7-14-34-29-16)20(28-31-35)17-15-26-30-27-17/h3-10,13-15,23H,1-2,11-12H2,(H,24,25)(H,26,27,30)
InChIKeyPGFURSPHKACUML-UHFFFAOYSA-N
MW490.55 g/mol
LogP4.71
Rot. Bonds6

About 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole

3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole (PubChem CID 140991330) has the molecular formula C22H22N10O2S and a molecular weight of 490.55 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole
PubChem CID140991330
Molecular FormulaC22H22N10O2S
Molecular Weight490.55 g/mol
Exact Mass490.16
IUPAC Name3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole
SMILESc1c[nH]c(S2(c3ncc[nH]3)(c3ccco3)(N3CCCC3)N=NC(c3cn[nH]n3)=C2c2ccon2)c1
InChIInChI=1S/C22H22N10O2S/c1-2-12-32(11-1)35(18-5-3-8-23-18,19-6-4-13-33-19,22-24-9-10-25-22)21(16-7-14-34-29-16)20(28-31-35)17-15-26-30-27-17/h3-10,13-15,23H,1-2,11-12H2,(H,24,25)(H,26,27,30)
InChIKeyPGFURSPHKACUML-UHFFFAOYSA-N
XLogP4.71
TPSA153.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole
CID 140996446
2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-3H-thiadiazol-5-yl]-1,3-oxazole
CID 141192975
1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole
CID 141220278

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole (CID 140991330) is 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole is c1c[nH]c(S2(c3ncc[nH]3)(c3ccco3)(N3CCCC3)N=NC(c3cn[nH]n3)=C2c2ccon2)c1.
What is the InChIKey of 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole?
The InChIKey is PGFURSPHKACUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10O2S/c1-2-12-32(11-1)35(18-5-3-8-23-18,19-6-4-13-33-19,22-24-9-10-25-22)21(16-7-14-34-29-16)20(28-31-35)17-15-26-30-27-17/h3-10,13-15,23H,1-2,11-12H2,(H,24,25)(H,26,27,30).
What are the key properties of 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole?
3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole has a molecular weight of 490.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-1-(1H-pyrrol-2-yl)-4-(2H-triazol-4-yl)thiadiazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 140991330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).