4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

C16H17N3OS — CID 47056505

IUPAC4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1c[nH]c(C2CCCN2Cc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C16H17N3OS/c1-4-13(17-7-1)14-5-2-8-19(14)10-12-11-20-16(18-12)15-6-3-9-21-15/h1,3-4,6-7,9,11,14,17H,2,5,8,10H2
InChIKeyCZUZSDLSJMHMOS-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.07
Rot. Bonds4

About 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 47056505) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID47056505
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1c[nH]c(C2CCCN2Cc2coc(-c3cccs3)n2)c1
InChIInChI=1S/C16H17N3OS/c1-4-13(17-7-1)14-5-2-8-19(14)10-12-11-20-16(18-12)15-6-3-9-21-15/h1,3-4,6-7,9,11,14,17H,2,5,8,10H2
InChIKeyCZUZSDLSJMHMOS-UHFFFAOYSA-N
XLogP4.07
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 47056505) is 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is c1c[nH]c(C2CCCN2Cc2coc(-c3cccs3)n2)c1.
What is the InChIKey of 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is CZUZSDLSJMHMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-4-13(17-7-1)14-5-2-8-19(14)10-12-11-20-16(18-12)15-6-3-9-21-15/h1,3-4,6-7,9,11,14,17H,2,5,8,10H2.
What are the key properties of 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 299.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 47056505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).