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

C25H33N5O3 — CID 95087188

IUPAC3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1nc(N2C[C@@H](C)C[C@H](C)C2)c2c(C)noc2n1
InChIInChI=1S/C25H33N5O3/c1-5-32-20-9-7-6-8-19(20)13-26-22(31)11-10-21-27-24(23-18(4)29-33-25(23)28-21)30-14-16(2)12-17(3)15-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,26,31)/t16-,17-/m0/s1
InChIKeyVMTLSOLFADBXGR-IRXDYDNUSA-N
MW451.57 g/mol
LogP4.06
Rot. Bonds8

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

3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(2-ethoxyphenyl)methyl]propanamide (PubChem CID 95087188) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 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-ethoxyphenyl)methyl]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-ethoxyphenyl)methyl]propanamide
PubChem CID95087188
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1nc(N2C[C@@H](C)C[C@H](C)C2)c2c(C)noc2n1
InChIInChI=1S/C25H33N5O3/c1-5-32-20-9-7-6-8-19(20)13-26-22(31)11-10-21-27-24(23-18(4)29-33-25(23)28-21)30-14-16(2)12-17(3)15-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,26,31)/t16-,17-/m0/s1
InChIKeyVMTLSOLFADBXGR-IRXDYDNUSA-N
XLogP4.06
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 95087156
3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 95087163
3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
CID 95087140
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
N-cyclopentyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
CID 93071163
N-cyclopropyl-3-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propanamide
CID 93071175
3-[4-(3,5-dimethylpiperidin-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 53116056
N-[(2,4-dimethoxyphenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115864
N-[(4-fluorophenyl)methyl]-3-(3-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115843
3-(3-ethyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 53116120
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(4-butoxyphenyl)methyl]propanamide
CID 53116037
N-[(4-chlorophenyl)methyl]-3-(3-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 53115785

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-ethoxyphenyl)methyl]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-ethoxyphenyl)methyl]propanamide (CID 95087188) is 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(2-ethoxyphenyl)methyl]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-ethoxyphenyl)methyl]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-ethoxyphenyl)methyl]propanamide is CCOc1ccccc1CNC(=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-ethoxyphenyl)methyl]propanamide?
The InChIKey is VMTLSOLFADBXGR-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-5-32-20-9-7-6-8-19(20)13-26-22(31)11-10-21-27-24(23-18(4)29-33-25(23)28-21)30-14-16(2)12-17(3)15-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,26,31)/t16-,17-/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-ethoxyphenyl)methyl]propanamide?
3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(2-ethoxyphenyl)methyl]propanamide has a molecular weight of 451.57 g/mol, XLogP of 4.06, 8 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-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 95087188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).