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

C19H27N5O2 — CID 110218539

IUPAC1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cc(C)no1
InChIInChI=1S/C19H27N5O2/c1-5-8-17(25)24-10-7-6-9-15(24)18-14(16-11-13(2)22-26-16)12-20-19(21-18)23(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyCJWQYQJJOGWFRY-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.36
Rot. Bonds5

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

1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one (PubChem CID 110218539) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
PubChem CID110218539
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cc(C)no1
InChIInChI=1S/C19H27N5O2/c1-5-8-17(25)24-10-7-6-9-15(24)18-14(16-11-13(2)22-26-16)12-20-19(21-18)23(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyCJWQYQJJOGWFRY-UHFFFAOYSA-N
XLogP3.36
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one (CID 110218539) is 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cc(C)no1.
What is the InChIKey of 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one?
The InChIKey is CJWQYQJJOGWFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-5-8-17(25)24-10-7-6-9-15(24)18-14(16-11-13(2)22-26-16)12-20-19(21-18)23(3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one?
1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one has a molecular weight of 357.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110218539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).