[2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol

C22H20F3NO3 — CID 10763682

About [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol

[2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol (PubChem CID 10763682) has the molecular formula C22H20F3NO3 and a molecular weight of 403.40 g/mol. Its IUPAC name is [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol
• PubChem CID: 10763682
• Molecular Formula: C22H20F3NO3
• Molecular Weight: 403.40 g/mol
• Exact Mass: 403.14
• IUPAC Name: [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol
• SMILES: Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(C2CC2CO)c1
• InChI: InChI=1S/C22H20F3NO3/c1-13-20(12-28-18-4-2-3-15(9-18)19-10-16(19)11-27)26-21(29-13)14-5-7-17(8-6-14)22(23,24)25/h2-9,16,19,27H,10-12H2,1H3
• InChIKey: DDAGSGZHJMLWBC-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 55.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.40
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol?

The IUPAC name of [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol (CID 10763682) is [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol.

What is the SMILES notation for [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol?

The canonical SMILES for [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(C2CC2CO)c1.

What is the InChIKey of [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol?

The InChIKey is DDAGSGZHJMLWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO3/c1-13-20(12-28-18-4-2-3-15(9-18)19-10-16(19)11-27)26-21(29-13)14-5-7-17(8-6-14)22(23,24)25/h2-9,16,19,27H,10-12H2,1H3.

What are the key properties of [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol?

[2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol has a molecular weight of 403.40 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]cyclopropyl]methanol is sourced from PubChem (CID 10763682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).