5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole

C12H18N2O2 — CID 115033418

IUPAC5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
SMILESc1nc(C2CCCN2)oc1C1CCCCO1
InChIInChI=1S/C12H18N2O2/c1-2-7-15-10(5-1)11-8-14-12(16-11)9-4-3-6-13-9/h8-10,13H,1-7H2
InChIKeyXPYSELRXUITLGK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.34
Rot. Bonds2

About 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole

5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole (PubChem CID 115033418) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
PubChem CID115033418
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
SMILESc1nc(C2CCCN2)oc1C1CCCCO1
InChIInChI=1S/C12H18N2O2/c1-2-7-15-10(5-1)11-8-14-12(16-11)9-4-3-6-13-9/h8-10,13H,1-7H2
InChIKeyXPYSELRXUITLGK-UHFFFAOYSA-N
XLogP2.34
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide
CID 115047827
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
CID 115085656
2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
CID 83879757
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
CID 115085669
2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole
CID 65180294
5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 52983812
2-(oxan-2-yl)pyrimidin-5-amine
CID 126971971
2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
CID 115085791
2-(2-piperidin-2-yl-1,3-oxazol-5-yl)propan-1-ol
CID 115085864
2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
CID 82049611
2-tert-butyl-5-(oxolan-2-yl)-1,3-oxazole
CID 167415981
5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 84715620

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole?
The IUPAC name of 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole (CID 115033418) is 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole?
The canonical SMILES for 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole is c1nc(C2CCCN2)oc1C1CCCCO1.
What is the InChIKey of 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole?
The InChIKey is XPYSELRXUITLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-7-15-10(5-1)11-8-14-12(16-11)9-4-3-6-13-9/h8-10,13H,1-7H2.
What are the key properties of 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole?
5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole has a molecular weight of 222.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole is sourced from PubChem (CID 115033418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).