4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide

C17H22N4O4 — CID 124961244

IUPAC4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)noc1C
InChIInChI=1S/C17H22N4O4/c1-11-13(10-23-2)15(21-25-11)17(22)20-9-12-7-18-16(19-8-12)14-5-3-4-6-24-14/h7-8,14H,3-6,9-10H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyHAGFIMFIWVGDQL-CQSZACIVSA-N
MW346.39 g/mol
LogP2.09
Rot. Bonds6

About 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide

4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 124961244) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID124961244
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)noc1C
InChIInChI=1S/C17H22N4O4/c1-11-13(10-23-2)15(21-25-11)17(22)20-9-12-7-18-16(19-8-12)14-5-3-4-6-24-14/h7-8,14H,3-6,9-10H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyHAGFIMFIWVGDQL-CQSZACIVSA-N
XLogP2.09
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124998741
4-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124977574
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 110117756
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124950410
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
3-fluoro-4-methoxy-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125002782

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide (CID 124961244) is 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide is COCc1c(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)noc1C.
What is the InChIKey of 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HAGFIMFIWVGDQL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-13(10-23-2)15(21-25-11)17(22)20-9-12-7-18-16(19-8-12)14-5-3-4-6-24-14/h7-8,14H,3-6,9-10H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide?
4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124961244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).