4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole

C12H18N2O2 — CID 115033401

IUPAC4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESc1oc(C2CCNC2)nc1C1CCOCC1
InChIInChI=1S/C12H18N2O2/c1-4-13-7-10(1)12-14-11(8-16-12)9-2-5-15-6-3-9/h8-10,13H,1-7H2
InChIKeyPLABKNUNCXRQPY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.65
Rot. Bonds2

About 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole

4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 115033401) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID115033401
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
SMILESc1oc(C2CCNC2)nc1C1CCOCC1
InChIInChI=1S/C12H18N2O2/c1-4-13-7-10(1)12-14-11(8-16-12)9-2-5-15-6-3-9/h8-10,13H,1-7H2
InChIKeyPLABKNUNCXRQPY-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-3-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115025819
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991
4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84770649
4-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84765750
4-[2-(azetidin-3-yl)-1,3-oxazol-4-yl]thiane 1,1-dioxide
CID 115047857
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 115082091
2-piperidin-2-yl-4-piperidin-4-yl-1,3-oxazole
CID 115041037
2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole
CID 115042771
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)acetaldehyde
CID 115082035
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 105490713
4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 115036792
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole (CID 115033401) is 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole is c1oc(C2CCNC2)nc1C1CCOCC1.
What is the InChIKey of 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is PLABKNUNCXRQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-13-7-10(1)12-14-11(8-16-12)9-2-5-15-6-3-9/h8-10,13H,1-7H2.
What are the key properties of 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole?
4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 222.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 115033401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).