2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole

C17H18N2OS2 — CID 86953341

IUPAC2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
SMILESCc1ccc(C2CCCN2Cc2ncc(-c3cccs3)o2)s1
InChIInChI=1S/C17H18N2OS2/c1-12-6-7-15(22-12)13-4-2-8-19(13)11-17-18-10-14(20-17)16-5-3-9-21-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3
InChIKeyGDQZFTJCGANTQQ-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.11
Rot. Bonds4

About 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole

2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole (PubChem CID 86953341) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
PubChem CID86953341
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
SMILESCc1ccc(C2CCCN2Cc2ncc(-c3cccs3)o2)s1
InChIInChI=1S/C17H18N2OS2/c1-12-6-7-15(22-12)13-4-2-8-19(13)11-17-18-10-14(20-17)16-5-3-9-21-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3
InChIKeyGDQZFTJCGANTQQ-UHFFFAOYSA-N
XLogP5.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 86953434
methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 56791543
1-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111111054
N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
CID 119919890
2-[2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethyl]-5-(3-nitrophenyl)-1,3-oxazole
CID 86953420
3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
CID 126784426
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120870637
5-methyl-2-thiophen-2-yl-4-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238946
5-methyl-2-thiophen-2-yl-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole
CID 30238949
2-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole;dihydrochloride
CID 120757775
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 120771142
3-(4-methylphenyl)-5-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86953360

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole (CID 86953341) is 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole is Cc1ccc(C2CCCN2Cc2ncc(-c3cccs3)o2)s1.
What is the InChIKey of 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is GDQZFTJCGANTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-12-6-7-15(22-12)13-4-2-8-19(13)11-17-18-10-14(20-17)16-5-3-9-21-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3.
What are the key properties of 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole?
2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 330.48 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 86953341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).