5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole

C11H18N2O — CID 15186140

IUPAC5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCN2C)on1
InChIInChI=1S/C11H18N2O/c1-3-5-9-8-11(14-12-9)10-6-4-7-13(10)2/h8,10H,3-7H2,1-2H3
InChIKeyUBZWBZVKCYZDPE-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.39
Rot. Bonds3

About 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole

5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole (PubChem CID 15186140) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole
PubChem CID15186140
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCN2C)on1
InChIInChI=1S/C11H18N2O/c1-3-5-9-8-11(14-12-9)10-6-4-7-13(10)2/h8,10H,3-7H2,1-2H3
InChIKeyUBZWBZVKCYZDPE-UHFFFAOYSA-N
XLogP2.39
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole?
The IUPAC name of 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole (CID 15186140) is 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole.
What is the SMILES notation for 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole?
The canonical SMILES for 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole is CCCc1cc(C2CCCN2C)on1.
What is the InChIKey of 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole?
The InChIKey is UBZWBZVKCYZDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-5-9-8-11(14-12-9)10-6-4-7-13(10)2/h8,10H,3-7H2,1-2H3.
What are the key properties of 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole?
5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole has a molecular weight of 194.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-2-yl)-3-propyl-1,2-oxazole is sourced from PubChem (CID 15186140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).