3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide

C19H29N5O3 — CID 95087154

IUPAC3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1nc(N2C[C@@H](C)C[C@H](C)C2)c2c(C)noc2n1
InChIInChI=1S/C19H29N5O3/c1-12-9-13(2)11-24(10-12)18-17-14(3)23-27-19(17)22-15(21-18)5-6-16(25)20-7-8-26-4/h12-13H,5-11H2,1-4H3,(H,20,25)/t12-,13-/m0/s1
InChIKeyWTODRNLKLBAYGH-STQMWFEESA-N
MW375.47 g/mol
LogP2.10
Rot. Bonds7

About 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide

3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 95087154) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide
PubChem CID95087154
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCc1nc(N2C[C@@H](C)C[C@H](C)C2)c2c(C)noc2n1
InChIInChI=1S/C19H29N5O3/c1-12-9-13(2)11-24(10-12)18-17-14(3)23-27-19(17)22-15(21-18)5-6-16(25)20-7-8-26-4/h12-13H,5-11H2,1-4H3,(H,20,25)/t12-,13-/m0/s1
InChIKeyWTODRNLKLBAYGH-STQMWFEESA-N
XLogP2.10
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide (CID 95087154) is 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCc1nc(N2C[C@@H](C)C[C@H](C)C2)c2c(C)noc2n1.
What is the InChIKey of 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is WTODRNLKLBAYGH-STQMWFEESA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12-9-13(2)11-24(10-12)18-17-14(3)23-27-19(17)22-15(21-18)5-6-16(25)20-7-8-26-4/h12-13H,5-11H2,1-4H3,(H,20,25)/t12-,13-/m0/s1.
What are the key properties of 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide?
3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 375.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 95087154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).