N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide

C30H34N6O3 — CID 166595642

About N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide

N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide (PubChem CID 166595642) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
• PubChem CID: 166595642
• Molecular Formula: C30H34N6O3
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.27
• IUPAC Name: N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
• SMILES: Cc1noc(C)c1-c1ccc2nc(N3CCC(N(C)C(=O)C4CCC4)CC3)n3c2c1OCC3c1ccccn1
• InChI: InChI=1S/C30H34N6O3/c1-18-26(19(2)39-33-18)22-10-11-24-27-28(22)38-17-25(23-9-4-5-14-31-23)36(27)30(32-24)35-15-12-21(13-16-35)34(3)29(37)20-7-6-8-20/h4-5,9-11,14,20-21,25H,6-8,12-13,15-17H2,1-3H3
• InChIKey: SATUWZAHXGFNLD-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?

The IUPAC name of N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide (CID 166595642) is N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide.

What is the SMILES notation for N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?

The canonical SMILES for N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide is Cc1noc(C)c1-c1ccc2nc(N3CCC(N(C)C(=O)C4CCC4)CC3)n3c2c1OCC3c1ccccn1.

What is the InChIKey of N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?

The InChIKey is SATUWZAHXGFNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-18-26(19(2)39-33-18)22-10-11-24-27-28(22)38-17-25(23-9-4-5-14-31-23)36(27)30(32-24)35-15-12-21(13-16-35)34(3)29(37)20-7-6-8-20/h4-5,9-11,14,20-21,25H,6-8,12-13,15-17H2,1-3H3.

What are the key properties of N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide?

N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 526.64 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl]piperidin-4-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 166595642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).