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

C22H20N4O3 — CID 134290429

IUPAC1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(-c3ncco3)ccc2C)nc1=O
InChIInChI=1S/C22H20N4O3/c1-15-8-9-17(21-23-10-11-29-21)12-18(15)24-22-25-20(27)19(28-2)14-26(22)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,24,25,27)
InChIKeyWBXYMXQYWZLVCB-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.01
Rot. Bonds6

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

1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one (PubChem CID 134290429) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one
PubChem CID134290429
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(-c3ncco3)ccc2C)nc1=O
InChIInChI=1S/C22H20N4O3/c1-15-8-9-17(21-23-10-11-29-21)12-18(15)24-22-25-20(27)19(28-2)14-26(22)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,24,25,27)
InChIKeyWBXYMXQYWZLVCB-UHFFFAOYSA-N
XLogP4.01
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one?
The IUPAC name of 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one (CID 134290429) is 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one is COc1cn(Cc2ccccc2)c(Nc2cc(-c3ncco3)ccc2C)nc1=O.
What is the InChIKey of 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one?
The InChIKey is WBXYMXQYWZLVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-8-9-17(21-23-10-11-29-21)12-18(15)24-22-25-20(27)19(28-2)14-26(22)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,24,25,27).
What are the key properties of 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one?
1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one has a molecular weight of 388.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one is sourced from PubChem (CID 134290429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).