2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole

C19H17N3O2S — CID 140989006

IUPAC2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole
SMILESC1=CN(C2(c3cccs3)NC(c3ccc[nH]3)=C(c3ccco3)O2)CC1
InChIInChI=1S/C19H17N3O2S/c1-2-11-22(10-1)19(16-8-5-13-25-16)21-17(14-6-3-9-20-14)18(24-19)15-7-4-12-23-15/h1,3-10,12-13,20-21H,2,11H2
InChIKeyXOPZTCNSKIQSGA-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.14
Rot. Bonds4

About 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole

2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole (PubChem CID 140989006) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole.

Molecular Properties

Compound Name2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole
PubChem CID140989006
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole
SMILESC1=CN(C2(c3cccs3)NC(c3ccc[nH]3)=C(c3ccco3)O2)CC1
InChIInChI=1S/C19H17N3O2S/c1-2-11-22(10-1)19(16-8-5-13-25-16)21-17(14-6-3-9-20-14)18(24-19)15-7-4-12-23-15/h1,3-10,12-13,20-21H,2,11H2
InChIKeyXOPZTCNSKIQSGA-UHFFFAOYSA-N
XLogP4.14
TPSA53.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole (CID 140989006) is 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole.
What is the SMILES notation for 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The canonical SMILES for 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole is C1=CN(C2(c3cccs3)NC(c3ccc[nH]3)=C(c3ccco3)O2)CC1.
What is the InChIKey of 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The InChIKey is XOPZTCNSKIQSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-2-11-22(10-1)19(16-8-5-13-25-16)21-17(14-6-3-9-20-14)18(24-19)15-7-4-12-23-15/h1,3-10,12-13,20-21H,2,11H2.
What are the key properties of 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole has a molecular weight of 351.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrol-1-yl)-5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole is sourced from PubChem (CID 140989006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).