N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine

C21H27ClN4O — CID 59186082

About N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine

N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 59186082) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

• Compound Name: N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
• PubChem CID: 59186082
• Molecular Formula: C21H27ClN4O
• Molecular Weight: 386.93 g/mol
• Exact Mass: 386.19
• IUPAC Name: N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
• SMILES: CCCN(Cc1c(C)nn2c(-c3cnc(Cl)cc3C)c(C)oc12)CC1CC1
• InChI: InChI=1S/C21H27ClN4O/c1-5-8-25(11-16-6-7-16)12-18-14(3)24-26-20(15(4)27-21(18)26)17-10-23-19(22)9-13(17)2/h9-10,16H,5-8,11-12H2,1-4H3
• InChIKey: QEHCRGPVAMETKE-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 46.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.93
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?

The IUPAC name of N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine (CID 59186082) is N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine.

What is the SMILES notation for N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?

The canonical SMILES for N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine is CCCN(Cc1c(C)nn2c(-c3cnc(Cl)cc3C)c(C)oc12)CC1CC1.

What is the InChIKey of N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?

The InChIKey is QEHCRGPVAMETKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-5-8-25(11-16-6-7-16)12-18-14(3)24-26-20(15(4)27-21(18)26)17-10-23-19(22)9-13(17)2/h9-10,16H,5-8,11-12H2,1-4H3.

What are the key properties of N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?

N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 386.93 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(6-chloro-4-methyl-3-pyridinyl)-2,6-dimethylpyrazolo[5,1-b][1,3]oxazol-7-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 59186082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).