4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole

C21H28F3NO — CID 163452321

IUPAC4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC([C@@H]2CCCC2C(C)(C)c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C21H28F3NO/c1-13(2)18-12-26-19(25-18)16-6-5-7-17(16)20(3,4)14-8-10-15(11-9-14)21(22,23)24/h8-11,13,16-18H,5-7,12H2,1-4H3/t16-,17?,18?/m1/s1
InChIKeyBHPKSMCNFQXBCB-WWDZGPRUSA-N
MW367.46 g/mol
LogP5.85
Rot. Bonds4

About 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole

4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole (PubChem CID 163452321) has the molecular formula C21H28F3NO and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
PubChem CID163452321
Molecular FormulaC21H28F3NO
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC([C@@H]2CCCC2C(C)(C)c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C21H28F3NO/c1-13(2)18-12-26-19(25-18)16-6-5-7-17(16)20(3,4)14-8-10-15(11-9-14)21(22,23)24/h8-11,13,16-18H,5-7,12H2,1-4H3/t16-,17?,18?/m1/s1
InChIKeyBHPKSMCNFQXBCB-WWDZGPRUSA-N
XLogP5.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole (CID 163452321) is 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole is CC(C)C1COC([C@@H]2CCCC2C(C)(C)c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is BHPKSMCNFQXBCB-WWDZGPRUSA-N. The full InChI is InChI=1S/C21H28F3NO/c1-13(2)18-12-26-19(25-18)16-6-5-7-17(16)20(3,4)14-8-10-15(11-9-14)21(22,23)24/h8-11,13,16-18H,5-7,12H2,1-4H3/t16-,17?,18?/m1/s1.
What are the key properties of 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 367.46 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 163452321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).