ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C37H36N2O3 — CID 66579431

About ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 66579431) has the molecular formula C37H36N2O3 and a molecular weight of 556.71 g/mol. Its IUPAC name is ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
• PubChem CID: 66579431
• Molecular Formula: C37H36N2O3
• Molecular Weight: 556.71 g/mol
• Exact Mass: 556.27
• IUPAC Name: ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(CCc4ccccc4)c4ccccc4)cc3)cc2)CC1
• InChI: InChI=1S/C37H36N2O3/c1-3-41-36(40)37(24-25-37)32-21-19-29(20-22-32)28-15-17-31(18-16-28)35-34(26(2)39-42-35)38-33(30-12-8-5-9-13-30)23-14-27-10-6-4-7-11-27/h4-13,15-22,33,38H,3,14,23-25H2,1-2H3
• InChIKey: UEWZHCJSORSVFX-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.71
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (CID 66579431) is ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(CCc4ccccc4)c4ccccc4)cc3)cc2)CC1.

What is the InChIKey of ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?

The InChIKey is UEWZHCJSORSVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O3/c1-3-41-36(40)37(24-25-37)32-21-19-29(20-22-32)28-15-17-31(18-16-28)35-34(26(2)39-42-35)38-33(30-12-8-5-9-13-30)23-14-27-10-6-4-7-11-27/h4-13,15-22,33,38H,3,14,23-25H2,1-2H3.

What are the key properties of ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?

ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 556.71 g/mol, XLogP of 8.70, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 66579431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).