5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole

C10H16N2O — CID 42575806

IUPAC5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
SMILESCC(C)c1cc([C@H]2CCCN2)no1
InChIInChI=1S/C10H16N2O/c1-7(2)10-6-9(12-13-10)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyAKSJGCJJRTZWNS-MRVPVSSYSA-N
MW180.25 g/mol
LogP2.22
Rot. Bonds2

About 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole

5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 42575806) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
PubChem CID42575806
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
SMILESCC(C)c1cc([C@H]2CCCN2)no1
InChIInChI=1S/C10H16N2O/c1-7(2)10-6-9(12-13-10)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyAKSJGCJJRTZWNS-MRVPVSSYSA-N
XLogP2.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
CID 46785750
3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 42575797
3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole
CID 46785763
2-[3-[(2R)-piperidin-2-yl]-1,2-oxazol-5-yl]ethanol
CID 92615014
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
5-(2-methoxyphenyl)-3-pyrrolidin-2-yl-1,2-oxazole
CID 46785770
4-propan-2-yl-2-pyrrolidin-2-yl-1,3-oxazole
CID 86276569
5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole
CID 46785780
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
3-propan-2-yl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61336970
3,5-dimethyl-4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-yl]-1,2-oxazole
CID 124946763
5-pyrrolidin-2-yl-1,2-oxazol-3-amine
CID 115094046

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole (CID 42575806) is 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole is CC(C)c1cc([C@H]2CCCN2)no1.
What is the InChIKey of 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is AKSJGCJJRTZWNS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)10-6-9(12-13-10)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 180.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[(2R)-pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 42575806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).