[14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C36H35N5O4 — CID 165427360

About [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 165427360) has the molecular formula C36H35N5O4 and a molecular weight of 601.71 g/mol. Its IUPAC name is [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
• PubChem CID: 165427360
• Molecular Formula: C36H35N5O4
• Molecular Weight: 601.71 g/mol
• Exact Mass: 601.27
• IUPAC Name: [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
• SMILES: Nc1ncccc1CN1CCCOc2cccc(c2)C2c3ccc(cc3CCN2C(=O)c2cc(-c3ccccc3)on2)OCC1
• InChI: InChI=1S/C36H35N5O4/c37-35-28(10-5-15-38-35)24-40-16-6-19-43-29-11-4-9-27(22-29)34-31-13-12-30(44-20-18-40)21-26(31)14-17-41(34)36(42)32-23-33(45-39-32)25-7-2-1-3-8-25/h1-5,7-13,15,21-23,34H,6,14,16-20,24H2,(H2,37,38)
• InChIKey: NNCGKMVOIUAJGV-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 106.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.71
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?

The IUPAC name of [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 165427360) is [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is Nc1ncccc1CN1CCCOc2cccc(c2)C2c3ccc(cc3CCN2C(=O)c2cc(-c3ccccc3)on2)OCC1.

What is the InChIKey of [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?

The InChIKey is NNCGKMVOIUAJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N5O4/c37-35-28(10-5-15-38-35)24-40-16-6-19-43-29-11-4-9-27(22-29)34-31-13-12-30(44-20-18-40)21-26(31)14-17-41(34)36(42)32-23-33(45-39-32)25-7-2-1-3-8-25/h1-5,7-13,15,21-23,34H,6,14,16-20,24H2,(H2,37,38).

What are the key properties of [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?

[14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 601.71 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [14-[(2-amino-3-pyridinyl)methyl]-11,18-dioxa-3,14-diazatetracyclo[17.3.1.16,10.02,7]tetracosa-1(23),6,8,10(24),19,21-hexaen-3-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 165427360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).