5-methyl-3-pyrrolidin-2-yl-1,2-oxazole

C8H12N2O — CID 25220780

IUPAC5-methyl-3-pyrrolidin-2-yl-1,2-oxazole
SMILESCc1cc(C2CCCN2)no1
InChIInChI=1S/C8H12N2O/c1-6-5-8(10-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3
InChIKeyQHCHHBRSMFGRQX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.41
Rot. Bonds1

About 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole

5-methyl-3-pyrrolidin-2-yl-1,2-oxazole (PubChem CID 25220780) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-pyrrolidin-2-yl-1,2-oxazole
PubChem CID25220780
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-methyl-3-pyrrolidin-2-yl-1,2-oxazole
SMILESCc1cc(C2CCCN2)no1
InChIInChI=1S/C8H12N2O/c1-6-5-8(10-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3
InChIKeyQHCHHBRSMFGRQX-UHFFFAOYSA-N
XLogP1.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole?
The IUPAC name of 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole (CID 25220780) is 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole?
The canonical SMILES for 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole is Cc1cc(C2CCCN2)no1.
What is the InChIKey of 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole?
The InChIKey is QHCHHBRSMFGRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-8(10-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3.
What are the key properties of 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole?
5-methyl-3-pyrrolidin-2-yl-1,2-oxazole has a molecular weight of 152.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyrrolidin-2-yl-1,2-oxazole is sourced from PubChem (CID 25220780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).