3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole

C11H12N4O — CID 59830336

IUPAC3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
SMILESc1cnc(-c2cc([C@@H]3CCCN3)on2)nc1
InChIInChI=1S/C11H12N4O/c1-3-8(12-4-1)10-7-9(15-16-10)11-13-5-2-6-14-11/h2,5-8,12H,1,3-4H2/t8-/m0/s1
InChIKeyHKFMJUSTFSZPED-QMMMGPOBSA-N
MW216.24 g/mol
LogP1.56
Rot. Bonds2

About 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole

3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 59830336) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
PubChem CID59830336
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
SMILESc1cnc(-c2cc([C@@H]3CCCN3)on2)nc1
InChIInChI=1S/C11H12N4O/c1-3-8(12-4-1)10-7-9(15-16-10)11-13-5-2-6-14-11/h2,5-8,12H,1,3-4H2/t8-/m0/s1
InChIKeyHKFMJUSTFSZPED-QMMMGPOBSA-N
XLogP1.56
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole (CID 59830336) is 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole is c1cnc(-c2cc([C@@H]3CCCN3)on2)nc1.
What is the InChIKey of 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is HKFMJUSTFSZPED-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N4O/c1-3-8(12-4-1)10-7-9(15-16-10)11-13-5-2-6-14-11/h2,5-8,12H,1,3-4H2/t8-/m0/s1.
What are the key properties of 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole?
3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 216.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 59830336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).