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

C18H23F3NOP — CID 58644964

IUPAC[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane
SMILESCC(C)C1COC(C2CCCC2Pc2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C18H23F3NOP/c1-11(2)15-10-23-17(22-15)14-4-3-5-16(14)24-13-8-6-12(7-9-13)18(19,20)21/h6-9,11,14-16,24H,3-5,10H2,1-2H3
InChIKeyUZPKUHHRLFYCOJ-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.63
Rot. Bonds4

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

[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 58644964) has the molecular formula C18H23F3NOP and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane
PubChem CID58644964
Molecular FormulaC18H23F3NOP
Molecular Weight357.36 g/mol
Exact Mass357.15
IUPAC Name[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane
SMILESCC(C)C1COC(C2CCCC2Pc2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C18H23F3NOP/c1-11(2)15-10-23-17(22-15)14-4-3-5-16(14)24-13-8-6-12(7-9-13)18(19,20)21/h6-9,11,14-16,24H,3-5,10H2,1-2H3
InChIKeyUZPKUHHRLFYCOJ-UHFFFAOYSA-N
XLogP4.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]phosphane
CID 89264372
[3,5-Bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
CID 58644962
[2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 89867606
[(1R)-2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-2,4-dien-1-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 89870131
[2-(4-Propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopenta-1,4-dien-1-yl]-[4-(trifluoromethyl)phenyl]phosphane
CID 117782354
(4S)-4-[(2,6-difluorophenyl)methyl]-2-[(2S,3S)-3-methylpentan-2-yl]-4,5-dihydro-1,3-oxazole
CID 159704989
4-propan-2-yl-2-[(1R)-2-[2-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
CID 163452321
(S)-4-Isopropyl-2-phenethyl-4,5-dihydrooxazole
CID 13435839
Bis[3,5-bis(trifluoromethyl)phenyl]-[5-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopenta-1,3-dien-1-yl]phosphane
CID 87758706
[5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 102178205
bis[3,5-bis(trifluoromethyl)phenyl]-[5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]phosphane
CID 102178206
4-Isopropyl-2-[4-(trifluoromethyl)benzyl]-4,5-dihydrooxazole
CID 176463657

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane (CID 58644964) is [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane is CC(C)C1COC(C2CCCC2Pc2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is UZPKUHHRLFYCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3NOP/c1-11(2)15-10-23-17(22-15)14-4-3-5-16(14)24-13-8-6-12(7-9-13)18(19,20)21/h6-9,11,14-16,24H,3-5,10H2,1-2H3.
What are the key properties of [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane?
[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 357.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]-[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 58644964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).