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

C26H33N5O2 — CID 95087165

IUPAC3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCc1noc2nc(CCC(=O)N[C@@H]3CCCc4ccccc43)nc(N3C[C@H](C)C[C@H](C)C3)c12
InChIInChI=1S/C26H33N5O2/c1-16-13-17(2)15-31(14-16)25-24-18(3)30-33-26(24)29-22(28-25)11-12-23(32)27-21-10-6-8-19-7-4-5-9-20(19)21/h4-5,7,9,16-17,21H,6,8,10-15H2,1-3H3,(H,27,32)/t16-,17+,21-/m1/s1
InChIKeySCIIQLAXWZNLTJ-LLGFUMIMSA-N
MW447.58 g/mol
LogP4.53
Rot. Bonds5

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

3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 95087165) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID95087165
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCc1noc2nc(CCC(=O)N[C@@H]3CCCc4ccccc43)nc(N3C[C@H](C)C[C@H](C)C3)c12
InChIInChI=1S/C26H33N5O2/c1-16-13-17(2)15-31(14-16)25-24-18(3)30-33-26(24)29-22(28-25)11-12-23(32)27-21-10-6-8-19-7-4-5-9-20(19)21/h4-5,7,9,16-17,21H,6,8,10-15H2,1-3H3,(H,27,32)/t16-,17+,21-/m1/s1
InChIKeySCIIQLAXWZNLTJ-LLGFUMIMSA-N
XLogP4.53
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-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-[(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-[(4-fluorophenyl)methyl]propanamide
CID 95087163
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
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
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 96548701
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95161267
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 95087165) is 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is Cc1noc2nc(CCC(=O)N[C@@H]3CCCc4ccccc43)nc(N3C[C@H](C)C[C@H](C)C3)c12.
What is the InChIKey of 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is SCIIQLAXWZNLTJ-LLGFUMIMSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-16-13-17(2)15-31(14-16)25-24-18(3)30-33-26(24)29-22(28-25)11-12-23(32)27-21-10-6-8-19-7-4-5-9-20(19)21/h4-5,7,9,16-17,21H,6,8,10-15H2,1-3H3,(H,27,32)/t16-,17+,21-/m1/s1.
What are the key properties of 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 447.58 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 95087165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).