5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole

C9H13ClN2O — CID 117258841

IUPAC5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole
SMILESCCN1CCC(c2ncc(Cl)o2)C1
InChIInChI=1S/C9H13ClN2O/c1-2-12-4-3-7(6-12)9-11-5-8(10)13-9/h5,7H,2-4,6H2,1H3
InChIKeyGQQKCYTZTMKZCG-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.14
Rot. Bonds2

About 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole

5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole (PubChem CID 117258841) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole
PubChem CID117258841
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole
SMILESCCN1CCC(c2ncc(Cl)o2)C1
InChIInChI=1S/C9H13ClN2O/c1-2-12-4-3-7(6-12)9-11-5-8(10)13-9/h5,7H,2-4,6H2,1H3
InChIKeyGQQKCYTZTMKZCG-UHFFFAOYSA-N
XLogP2.14
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole (CID 117258841) is 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole is CCN1CCC(c2ncc(Cl)o2)C1.
What is the InChIKey of 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole?
The InChIKey is GQQKCYTZTMKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-2-12-4-3-7(6-12)9-11-5-8(10)13-9/h5,7H,2-4,6H2,1H3.
What are the key properties of 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole?
5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole has a molecular weight of 200.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-ethylpyrrolidin-3-yl)-1,3-oxazole is sourced from PubChem (CID 117258841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).