3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

C18H19N5O — CID 99957100

IUPAC3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)on1
InChIInChI=1S/C18H19N5O/c1-13-9-17(24-22-13)16-6-4-8-23(16)12-14-10-20-18(21-11-14)15-5-2-3-7-19-15/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3/t16-/m0/s1
InChIKeyPZPOXTAAGYGKFC-INIZCTEOSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds4

About 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole

3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 99957100) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID99957100
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc([C@@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)on1
InChIInChI=1S/C18H19N5O/c1-13-9-17(24-22-13)16-6-4-8-23(16)12-14-10-20-18(21-11-14)15-5-2-3-7-19-15/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3/t16-/m0/s1
InChIKeyPZPOXTAAGYGKFC-INIZCTEOSA-N
XLogP3.17
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 99957100) is 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cc([C@@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)on1.
What is the InChIKey of 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is PZPOXTAAGYGKFC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-9-17(24-22-13)16-6-4-8-23(16)12-14-10-20-18(21-11-14)15-5-2-3-7-19-15/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3/t16-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 321.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 99957100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).