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

C7H9ClN2O — CID 117260209

IUPAC5-chloro-2-pyrrolidin-1-yl-1,3-oxazole
SMILESClc1cnc(N2CCCC2)o1
InChIInChI=1S/C7H9ClN2O/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2
InChIKeyPWKOTECWCUXHRP-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.93
Rot. Bonds1

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

5-chloro-2-pyrrolidin-1-yl-1,3-oxazole (PubChem CID 117260209) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-1-yl-1,3-oxazole
PubChem CID117260209
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name5-chloro-2-pyrrolidin-1-yl-1,3-oxazole
SMILESClc1cnc(N2CCCC2)o1
InChIInChI=1S/C7H9ClN2O/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2
InChIKeyPWKOTECWCUXHRP-UHFFFAOYSA-N
XLogP1.93
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole?
The IUPAC name of 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole (CID 117260209) is 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole?
The canonical SMILES for 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole is Clc1cnc(N2CCCC2)o1.
What is the InChIKey of 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole?
The InChIKey is PWKOTECWCUXHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-6-5-9-7(11-6)10-3-1-2-4-10/h5H,1-4H2.
What are the key properties of 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole?
5-chloro-2-pyrrolidin-1-yl-1,3-oxazole has a molecular weight of 172.62 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-1-yl-1,3-oxazole is sourced from PubChem (CID 117260209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).