3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine

C18H25N5O — CID 97138273

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine (PubChem CID 97138273) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine.

Molecular Properties

• Compound Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine
• PubChem CID: 97138273
• Molecular Formula: C18H25N5O
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.21
• IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine
• SMILES: Cc1cc2ncc([C@H](C)NCCCc3c(C)noc3C)c(C)n2n1
• InChI: InChI=1S/C18H25N5O/c1-11-9-18-20-10-17(14(4)23(18)21-11)12(2)19-8-6-7-16-13(3)22-24-15(16)5/h9-10,12,19H,6-8H2,1-5H3/t12-/m0/s1
• InChIKey: GICZEUUCWBNQPC-LBPRGKRZSA-N
• XLogP: 3.23
• TPSA: 68.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine?

The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine (CID 97138273) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine.

What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine?

The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine is Cc1cc2ncc([C@H](C)NCCCc3c(C)noc3C)c(C)n2n1.

What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine?

The InChIKey is GICZEUUCWBNQPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N5O/c1-11-9-18-20-10-17(14(4)23(18)21-11)12(2)19-8-6-7-16-13(3)22-24-15(16)5/h9-10,12,19H,6-8H2,1-5H3/t12-/m0/s1.

What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine?

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine has a molecular weight of 327.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine is sourced from PubChem (CID 97138273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).