5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole

C15H20N2OS — CID 46366599

IUPAC5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCC(C)c1cc(C2CCCN2Cc2cccs2)no1
InChIInChI=1S/C15H20N2OS/c1-11(2)15-9-13(16-18-15)14-6-3-7-17(14)10-12-5-4-8-19-12/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3
InChIKeyDPKMAVQXTXPJEZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.20
Rot. Bonds4

About 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole

5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 46366599) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
PubChem CID46366599
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
SMILESCC(C)c1cc(C2CCCN2Cc2cccs2)no1
InChIInChI=1S/C15H20N2OS/c1-11(2)15-9-13(16-18-15)14-6-3-7-17(14)10-12-5-4-8-19-12/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3
InChIKeyDPKMAVQXTXPJEZ-UHFFFAOYSA-N
XLogP4.20
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole (CID 46366599) is 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole is CC(C)c1cc(C2CCCN2Cc2cccs2)no1.
What is the InChIKey of 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is DPKMAVQXTXPJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)15-9-13(16-18-15)14-6-3-7-17(14)10-12-5-4-8-19-12/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole?
5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 276.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 46366599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).