[1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C19H24FN5O3 — CID 154568816

IUPAC[1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOC1(C(=O)N2CCCC2c2cc(C)on2)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C19H24FN5O3/c1-13-10-15(23-28-13)16-4-3-7-25(16)17(26)19(27-2)5-8-24(9-6-19)18-21-11-14(20)12-22-18/h10-12,16H,3-9H2,1-2H3
InChIKeyMPWBJJAIYQLHJV-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.26
Rot. Bonds4

About [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

[1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 154568816) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID154568816
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Name[1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCOC1(C(=O)N2CCCC2c2cc(C)on2)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C19H24FN5O3/c1-13-10-15(23-28-13)16-4-3-7-25(16)17(26)19(27-2)5-8-24(9-6-19)18-21-11-14(20)12-22-18/h10-12,16H,3-9H2,1-2H3
InChIKeyMPWBJJAIYQLHJV-UHFFFAOYSA-N
XLogP2.26
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 154568816) is [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is COC1(C(=O)N2CCCC2c2cc(C)on2)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MPWBJJAIYQLHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-13-10-15(23-28-13)16-4-3-7-25(16)17(26)19(27-2)5-8-24(9-6-19)18-21-11-14(20)12-22-18/h10-12,16H,3-9H2,1-2H3.
What are the key properties of [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
[1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 389.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154568816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).