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

C25H33N5O2 — CID 95087140

IUPAC3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
SMILESCc1noc2nc(CCC(=O)NCCCc3ccccc3)nc(N3C[C@H](C)C[C@H](C)C3)c12
InChIInChI=1S/C25H33N5O2/c1-17-14-18(2)16-30(15-17)24-23-19(3)29-32-25(23)28-21(27-24)11-12-22(31)26-13-7-10-20-8-5-4-6-9-20/h4-6,8-9,17-18H,7,10-16H2,1-3H3,(H,26,31)/t17-,18+
InChIKeyQVQXQKRUPRFFEH-HDICACEKSA-N
MW435.57 g/mol
LogP4.09
Rot. Bonds8

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

3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide (PubChem CID 95087140) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
PubChem CID95087140
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
SMILESCc1noc2nc(CCC(=O)NCCCc3ccccc3)nc(N3C[C@H](C)C[C@H](C)C3)c12
InChIInChI=1S/C25H33N5O2/c1-17-14-18(2)16-30(15-17)24-23-19(3)29-32-25(23)28-21(27-24)11-12-22(31)26-13-7-10-20-8-5-4-6-9-20/h4-6,8-9,17-18H,7,10-16H2,1-3H3,(H,26,31)/t17-,18+
InChIKeyQVQXQKRUPRFFEH-HDICACEKSA-N
XLogP4.09
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 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) is 3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide is Cc1noc2nc(CCC(=O)NCCCc3ccccc3)nc(N3C[C@H](C)C[C@H](C)C3)c12.
What is the InChIKey of 3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide?
The InChIKey is QVQXQKRUPRFFEH-HDICACEKSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-17-14-18(2)16-30(15-17)24-23-19(3)29-32-25(23)28-21(27-24)11-12-22(31)26-13-7-10-20-8-5-4-6-9-20/h4-6,8-9,17-18H,7,10-16H2,1-3H3,(H,26,31)/t17-,18+.
What are the key properties of 3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide?
3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide has a molecular weight of 435.57 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 95087140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).