3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide

C18H24N4O3 — CID 125016091

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1ccnc([C@H]2CCCOC2)n1
InChIInChI=1S/C18H24N4O3/c1-12-16(13(2)25-22-12)5-6-17(23)20-10-15-7-8-19-18(21-15)14-4-3-9-24-11-14/h7-8,14H,3-6,9-11H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyWYFIQHODWOQZFI-AWEZNQCLSA-N
MW344.42 g/mol
LogP2.22
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide (PubChem CID 125016091) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
PubChem CID125016091
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1ccnc([C@H]2CCCOC2)n1
InChIInChI=1S/C18H24N4O3/c1-12-16(13(2)25-22-12)5-6-17(23)20-10-15-7-8-19-18(21-15)14-4-3-9-24-11-14/h7-8,14H,3-6,9-11H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyWYFIQHODWOQZFI-AWEZNQCLSA-N
XLogP2.22
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117974
2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117950
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
CID 125025075
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
CID 124957512
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
2-(3-fluorophenoxy)-N-[[2-[(3S)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983721
2-(2-fluorophenoxy)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124987265
2-imidazol-1-yl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]acetamide
CID 110117959
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
CID 110118014
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
CID 125021480
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 110117996
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]propanamide
CID 110117449

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide (CID 125016091) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide is Cc1noc(C)c1CCC(=O)NCc1ccnc([C@H]2CCCOC2)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide?
The InChIKey is WYFIQHODWOQZFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-16(13(2)25-22-12)5-6-17(23)20-10-15-7-8-19-18(21-15)14-4-3-9-24-11-14/h7-8,14H,3-6,9-11H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]propanamide is sourced from PubChem (CID 125016091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).