N-[1-[1-[(11S)-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]cyclobutyl]formamide

C29H32N6O3 — CID 155384712

About N-[1-[1-[(11S)-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]cyclobutyl]formamide

N-[1-[1-[(11S)-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]cyclobutyl]formamide (PubChem CID 155384712) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[1-[1-[(11S)-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]cyclobutyl]formamide.

Molecular Properties

• Compound Name: N-[1-[1-[(11S)-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]cyclobutyl]formamide
• PubChem CID: 155384712
• Molecular Formula: C29H32N6O3
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.25
• IUPAC Name: N-[1-[1-[(11S)-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]cyclobutyl]formamide
• SMILES: Cc1noc(C)c1-c1ccc2nc(N3CCC(C4(NC=O)CCC4)CC3)n3c2c1OC[C@@H]3c1ccccn1
• InChI: InChI=1S/C29H32N6O3/c1-18-25(19(2)38-33-18)21-7-8-23-26-27(21)37-16-24(22-6-3-4-13-30-22)35(26)28(32-23)34-14-9-20(10-15-34)29(31-17-36)11-5-12-29/h3-4,6-8,13,17,20,24H,5,9-12,14-16H2,1-2H3,(H,31,36)/t24-/m1/s1
• InChIKey: WWVIBKQDPNXONB-XMMPIXPASA-N
• XLogP: 4.57
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(11S)-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]cyclobutyl]formamide?

The IUPAC name of N-[1-[1-[(11S)-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]cyclobutyl]formamide (CID 155384712) is N-[1-[1-[(11S)-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]cyclobutyl]formamide.

What is the SMILES notation for N-[1-[1-[(11S)-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]cyclobutyl]formamide?

The canonical SMILES for N-[1-[1-[(11S)-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]cyclobutyl]formamide is Cc1noc(C)c1-c1ccc2nc(N3CCC(C4(NC=O)CCC4)CC3)n3c2c1OC[C@@H]3c1ccccn1.

What is the InChIKey of N-[1-[1-[(11S)-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]cyclobutyl]formamide?

The InChIKey is WWVIBKQDPNXONB-XMMPIXPASA-N. The full InChI is InChI=1S/C29H32N6O3/c1-18-25(19(2)38-33-18)21-7-8-23-26-27(21)37-16-24(22-6-3-4-13-30-22)35(26)28(32-23)34-14-9-20(10-15-34)29(31-17-36)11-5-12-29/h3-4,6-8,13,17,20,24H,5,9-12,14-16H2,1-2H3,(H,31,36)/t24-/m1/s1.

What are the key properties of N-[1-[1-[(11S)-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]cyclobutyl]formamide?

N-[1-[1-[(11S)-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]cyclobutyl]formamide has a molecular weight of 512.61 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[(11S)-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]cyclobutyl]formamide is sourced from PubChem (CID 155384712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).