3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one

C10H11N3O2 — CID 115679422

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
SMILESCc1noc(C)c1Cn1cnccc1=O
InChIInChI=1S/C10H11N3O2/c1-7-9(8(2)15-12-7)5-13-6-11-4-3-10(13)14/h3-4,6H,5H2,1-2H3
InChIKeyVAYRHMVTJNQECC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.90
Rot. Bonds2

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 115679422) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
PubChem CID115679422
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one
SMILESCc1noc(C)c1Cn1cnccc1=O
InChIInChI=1S/C10H11N3O2/c1-7-9(8(2)15-12-7)5-13-6-11-4-3-10(13)14/h3-4,6H,5H2,1-2H3
InChIKeyVAYRHMVTJNQECC-UHFFFAOYSA-N
XLogP0.90
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[(6-oxopyrimidin-1-yl)methyl]furan-2-carboxylic acid
CID 63770228
4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-2-one
CID 125180340
3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940726
3-propylpyrimidin-4-one
CID 115679465
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thieno[2,3-c]pyridin-7-one
CID 99839786
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66413883
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543861
3-(1,3-thiazol-2-ylmethyl)pyrimidin-4-one
CID 115749780
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-2,6-dione
CID 121224616
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrol-2-yl]prop-2-enoic acid
CID 39150689
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222891

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one (CID 115679422) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one is Cc1noc(C)c1Cn1cnccc1=O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is VAYRHMVTJNQECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-9(8(2)15-12-7)5-13-6-11-4-3-10(13)14/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115679422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).