4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C17H24N4O2 — CID 171915775

IUPAC4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCN(CCc3c(C)noc3C)C2)cc(=O)[nH]1
InChIInChI=1S/C17H24N4O2/c1-11-15(12(2)23-20-11)6-8-21-7-4-5-14(10-21)16-9-17(22)19-13(3)18-16/h9,14H,4-8,10H2,1-3H3,(H,18,19,22)
InChIKeySLTZGVLRFZHWRN-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.11
Rot. Bonds4

About 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 171915775) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID171915775
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCN(CCc3c(C)noc3C)C2)cc(=O)[nH]1
InChIInChI=1S/C17H24N4O2/c1-11-15(12(2)23-20-11)6-8-21-7-4-5-14(10-21)16-9-17(22)19-13(3)18-16/h9,14H,4-8,10H2,1-3H3,(H,18,19,22)
InChIKeySLTZGVLRFZHWRN-UHFFFAOYSA-N
XLogP2.11
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-amine
CID 95982249
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
4-[(2R)-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166532
4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706500
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
2-methyl-4-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136822825
2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136697975
4-[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782821
2-(dimethylamino)-4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246983
2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782835
1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
CID 136706472

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 171915775) is 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCCN(CCc3c(C)noc3C)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SLTZGVLRFZHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-15(12(2)23-20-11)6-8-21-7-4-5-14(10-21)16-9-17(22)19-13(3)18-16/h9,14H,4-8,10H2,1-3H3,(H,18,19,22).
What are the key properties of 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 316.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 171915775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).