5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole

C9H12N2O — CID 57358428

IUPAC5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole
SMILESC(=CC1CCCN1)c1ccno1
InChIInChI=1S/C9H12N2O/c1-2-8(10-6-1)3-4-9-5-7-11-12-9/h3-5,7-8,10H,1-2,6H2
InChIKeyFYHDVIIKKLEKMZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.44
Rot. Bonds2

About 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole

5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole (PubChem CID 57358428) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole
PubChem CID57358428
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole
SMILESC(=CC1CCCN1)c1ccno1
InChIInChI=1S/C9H12N2O/c1-2-8(10-6-1)3-4-9-5-7-11-12-9/h3-5,7-8,10H,1-2,6H2
InChIKeyFYHDVIIKKLEKMZ-UHFFFAOYSA-N
XLogP1.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole?
The IUPAC name of 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole (CID 57358428) is 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole?
The canonical SMILES for 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole is C(=CC1CCCN1)c1ccno1.
What is the InChIKey of 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole?
The InChIKey is FYHDVIIKKLEKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-8(10-6-1)3-4-9-5-7-11-12-9/h3-5,7-8,10H,1-2,6H2.
What are the key properties of 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole?
5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole has a molecular weight of 164.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole is sourced from PubChem (CID 57358428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).