7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C18H21N5O3 — CID 110118242

IUPAC7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1noc(C)c1C(=O)N1CCCCC1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C18H21N5O3/c1-3-12-16(11(2)26-21-12)17(25)22-8-5-4-6-14(22)13-10-15(24)23-9-7-19-18(23)20-13/h7,9-10,14H,3-6,8H2,1-2H3,(H,19,20)
InChIKeyWNOWFNMGUFZSOC-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.25
Rot. Bonds3

About 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 110118242) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID110118242
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1noc(C)c1C(=O)N1CCCCC1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C18H21N5O3/c1-3-12-16(11(2)26-21-12)17(25)22-8-5-4-6-14(22)13-10-15(24)23-9-7-19-18(23)20-13/h7,9-10,14H,3-6,8H2,1-2H3,(H,19,20)
InChIKeyWNOWFNMGUFZSOC-UHFFFAOYSA-N
XLogP2.25
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 110118242) is 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is CCc1noc(C)c1C(=O)N1CCCCC1c1cc(=O)n2ccnc2[nH]1.
What is the InChIKey of 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is WNOWFNMGUFZSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-12-16(11(2)26-21-12)17(25)22-8-5-4-6-14(22)13-10-15(24)23-9-7-19-18(23)20-13/h7,9-10,14H,3-6,8H2,1-2H3,(H,19,20).
What are the key properties of 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 355.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 110118242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).