N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide

C27H28N4O5 — CID 59381091

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide (PubChem CID 59381091) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
• PubChem CID: 59381091
• Molecular Formula: C27H28N4O5
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.21
• IUPAC Name: N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c(C)o2)cc1
• InChI: InChI=1S/C27H28N4O5/c1-16-21(14-22(35-16)17-6-12-20(34-5)13-7-17)25(32)28-18-8-10-19(11-9-18)29-26(33)30-24-15-23(36-31-24)27(2,3)4/h6-15H,1-5H3,(H,28,32)(H2,29,30,31,33)
• InChIKey: IFMUIKUGJOXNCD-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 118.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide (CID 59381091) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide.

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

The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c(C)o2)cc1.

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

The InChIKey is IFMUIKUGJOXNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-16-21(14-22(35-16)17-6-12-20(34-5)13-7-17)25(32)28-18-8-10-19(11-9-18)29-26(33)30-24-15-23(36-31-24)27(2,3)4/h6-15H,1-5H3,(H,28,32)(H2,29,30,31,33).

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 6.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 59381091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).