(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate

C30H28N2O4 — CID 22087813

About (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate

(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate (PubChem CID 22087813) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate
• PubChem CID: 22087813
• Molecular Formula: C30H28N2O4
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.20
• IUPAC Name: (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate
• SMILES: CCN(Cc1ccc(C#CCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1
• InChI: InChI=1S/C30H28N2O4/c1-4-32(30(33)36-27-19-17-26(34-3)18-20-27)21-24-15-13-23(14-16-24)9-8-12-28-22(2)35-29(31-28)25-10-6-5-7-11-25/h5-7,10-11,13-20H,4,12,21H2,1-3H3
• InChIKey: RKOWSAZQIAQQSI-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate?

The IUPAC name of (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate (CID 22087813) is (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate.

What is the SMILES notation for (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate?

The canonical SMILES for (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate is CCN(Cc1ccc(C#CCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1.

What is the InChIKey of (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate?

The InChIKey is RKOWSAZQIAQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-4-32(30(33)36-27-19-17-26(34-3)18-20-27)21-24-15-13-23(14-16-24)9-8-12-28-22(2)35-29(31-28)25-10-6-5-7-11-25/h5-7,10-11,13-20H,4,12,21H2,1-3H3.

What are the key properties of (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate?

(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate has a molecular weight of 480.56 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate is sourced from PubChem (CID 22087813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).