5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole

C10H15ClN2O — CID 117258842

IUPAC5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole
SMILESCC(C)N1CCC(c2ncc(Cl)o2)C1
InChIInChI=1S/C10H15ClN2O/c1-7(2)13-4-3-8(6-13)10-12-5-9(11)14-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXQJNYHLOQRWQPO-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.53
Rot. Bonds2

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

5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole (PubChem CID 117258842) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole
PubChem CID117258842
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole
SMILESCC(C)N1CCC(c2ncc(Cl)o2)C1
InChIInChI=1S/C10H15ClN2O/c1-7(2)13-4-3-8(6-13)10-12-5-9(11)14-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyXQJNYHLOQRWQPO-UHFFFAOYSA-N
XLogP2.53
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.53
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-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole (CID 117258842) is 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole is CC(C)N1CCC(c2ncc(Cl)o2)C1.
What is the InChIKey of 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole?
The InChIKey is XQJNYHLOQRWQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(2)13-4-3-8(6-13)10-12-5-9(11)14-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole?
5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole has a molecular weight of 214.70 g/mol, XLogP of 2.53, 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-propan-2-ylpyrrolidin-3-yl)-1,3-oxazole is sourced from PubChem (CID 117258842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).