2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole

C15H16F3N5O — CID 97413693

IUPAC2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole
SMILESFC(F)(F)c1cc(N2Cc3nc(CN4CCCC4)oc3C2)ncn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)12-5-13(20-9-19-12)23-6-10-11(7-23)24-14(21-10)8-22-3-1-2-4-22/h5,9H,1-4,6-8H2
InChIKeyWQEUFGANOFPXLT-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.60
Rot. Bonds3

About 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole

2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole (PubChem CID 97413693) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole
PubChem CID97413693
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole
SMILESFC(F)(F)c1cc(N2Cc3nc(CN4CCCC4)oc3C2)ncn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)12-5-13(20-9-19-12)23-6-10-11(7-23)24-14(21-10)8-22-3-1-2-4-22/h5,9H,1-4,6-8H2
InChIKeyWQEUFGANOFPXLT-UHFFFAOYSA-N
XLogP2.60
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole (CID 97413693) is 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole is FC(F)(F)c1cc(N2Cc3nc(CN4CCCC4)oc3C2)ncn1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole?
The InChIKey is WQEUFGANOFPXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)12-5-13(20-9-19-12)23-6-10-11(7-23)24-14(21-10)8-22-3-1-2-4-22/h5,9H,1-4,6-8H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole?
2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole has a molecular weight of 339.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole is sourced from PubChem (CID 97413693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).