2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide

C15H19N5O3 — CID 124954332

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCc1nonc1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1
InChIInChI=1S/C15H19N5O3/c1-10-12(20-23-19-10)6-14(21)16-7-11-8-17-15(18-9-11)13-4-2-3-5-22-13/h8-9,13H,2-7H2,1H3,(H,16,21)/t13-/m0/s1
InChIKeyFBXGTCOKMAWHMT-ZDUSSCGKSA-N
MW317.35 g/mol
LogP1.27
Rot. Bonds5

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide (PubChem CID 124954332) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
PubChem CID124954332
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
SMILESCc1nonc1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1
InChIInChI=1S/C15H19N5O3/c1-10-12(20-23-19-10)6-14(21)16-7-11-8-17-15(18-9-11)13-4-2-3-5-22-13/h8-9,13H,2-7H2,1H3,(H,16,21)/t13-/m0/s1
InChIKeyFBXGTCOKMAWHMT-ZDUSSCGKSA-N
XLogP1.27
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide (CID 124954332) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide is Cc1nonc1CC(=O)NCc1cnc([C@@H]2CCCCO2)nc1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
The InChIKey is FBXGTCOKMAWHMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-12(20-23-19-10)6-14(21)16-7-11-8-17-15(18-9-11)13-4-2-3-5-22-13/h8-9,13H,2-7H2,1H3,(H,16,21)/t13-/m0/s1.
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide has a molecular weight of 317.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 124954332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).