N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide

C27H28N6O6 — CID 11237916

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide (PubChem CID 11237916) has the molecular formula C27H28N6O6 and a molecular weight of 532.56 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide.

Molecular Properties

• Compound Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
• PubChem CID: 11237916
• Molecular Formula: C27H28N6O6
• Molecular Weight: 532.56 g/mol
• Exact Mass: 532.21
• IUPAC Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
• SMILES: COc1cc(OC)nc(Oc2cccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)n1
• InChI: InChI=1S/C27H28N6O6/c1-27(2,3)20-14-21(33-39-20)30-25(35)29-18-11-9-17(10-12-18)28-24(34)16-7-6-8-19(13-16)38-26-31-22(36-4)15-23(32-26)37-5/h6-15H,1-5H3,(H,28,34)(H2,29,30,33,35)
• InChIKey: OLOOKJIGHGFTBU-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 149.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.56
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?

The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide (CID 11237916) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide.

What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?

The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide is COc1cc(OC)nc(Oc2cccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)n1.

What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?

The InChIKey is OLOOKJIGHGFTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O6/c1-27(2,3)20-14-21(33-39-20)30-25(35)29-18-11-9-17(10-12-18)28-24(34)16-7-6-8-19(13-16)38-26-31-22(36-4)15-23(32-26)37-5/h6-15H,1-5H3,(H,28,34)(H2,29,30,33,35).

What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide has a molecular weight of 532.56 g/mol, XLogP of 5.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide is sourced from PubChem (CID 11237916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).