1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid

C30H26F3NO5 — CID 175512589

IUPAC1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccccc1-c1cccc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C30H26F3NO5/c1-18(2)27-23(26(34-39-27)22-11-4-6-13-25(22)38-30(31,32)33)17-37-24-12-5-3-10-21(24)19-8-7-9-20(16-19)29(14-15-29)28(35)36/h3-13,16,18H,14-15,17H2,1-2H3,(H,35,36)
InChIKeySEAUVCPQDRHVSA-UHFFFAOYSA-N
MW537.53 g/mol
LogP7.73
Rot. Bonds9

About 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 175512589) has the molecular formula C30H26F3NO5 and a molecular weight of 537.53 g/mol. Its IUPAC name is 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID175512589
Molecular FormulaC30H26F3NO5
Molecular Weight537.53 g/mol
Exact Mass537.18
IUPAC Name1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccccc1-c1cccc(C2(C(=O)O)CC2)c1
InChIInChI=1S/C30H26F3NO5/c1-18(2)27-23(26(34-39-27)22-11-4-6-13-25(22)38-30(31,32)33)17-37-24-12-5-3-10-21(24)19-8-7-9-20(16-19)29(14-15-29)28(35)36/h3-13,16,18H,14-15,17H2,1-2H3,(H,35,36)
InChIKeySEAUVCPQDRHVSA-UHFFFAOYSA-N
XLogP7.73
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.53
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 175512589) is 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid is CC(C)c1onc(-c2ccccc2OC(F)(F)F)c1COc1ccccc1-c1cccc(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is SEAUVCPQDRHVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3NO5/c1-18(2)27-23(26(34-39-27)22-11-4-6-13-25(22)38-30(31,32)33)17-37-24-12-5-3-10-21(24)19-8-7-9-20(16-19)29(14-15-29)28(35)36/h3-13,16,18H,14-15,17H2,1-2H3,(H,35,36).
What are the key properties of 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 537.53 g/mol, XLogP of 7.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 175512589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).