[3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone

C15H15F3N3O2P — CID 166483329

IUPAC[3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone
SMILESNc1cc(C2CCN(C(=O)c3ccc(C(F)(F)F)c(P)c3)C2)no1
InChIInChI=1S/C15H15F3N3O2P/c16-15(17,18)10-2-1-8(5-12(10)24)14(22)21-4-3-9(7-21)11-6-13(19)23-20-11/h1-2,5-6,9H,3-4,7,19,24H2
InChIKeyNRJBLINVVSMUFC-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.41
Rot. Bonds2

About [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone

[3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 166483329) has the molecular formula C15H15F3N3O2P and a molecular weight of 357.27 g/mol. Its IUPAC name is [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID166483329
Molecular FormulaC15H15F3N3O2P
Molecular Weight357.27 g/mol
Exact Mass357.09
IUPAC Name[3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone
SMILESNc1cc(C2CCN(C(=O)c3ccc(C(F)(F)F)c(P)c3)C2)no1
InChIInChI=1S/C15H15F3N3O2P/c16-15(17,18)10-2-1-8(5-12(10)24)14(22)21-4-3-9(7-21)11-6-13(19)23-20-11/h1-2,5-6,9H,3-4,7,19,24H2
InChIKeyNRJBLINVVSMUFC-UHFFFAOYSA-N
XLogP2.41
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone
CID 166483062
4-[4-(5-amino-1,2-oxazol-3-yl)piperidine-1-carbonyl]-2-chlorobenzonitrile
CID 166483342
[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 62155715
[4-[4-(5-amino-1,2-oxazol-3-yl)piperidine-1-carbonyl]phenyl]-hydroxy-methyl-sulfanylazanium
CID 166483236
[4-amino-3-(trifluoromethyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942525
2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019691
(3-aminopyrrolidin-1-yl)-[3-bromo-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 176508133
[3-amino-4-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 138911089
[4-amino-3-(trifluoromethyl)phenyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106673725
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone
CID 171361802
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 171361801
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855

Frequently Asked Questions

What is the IUPAC name of [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone (CID 166483329) is [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone is Nc1cc(C2CCN(C(=O)c3ccc(C(F)(F)F)c(P)c3)C2)no1.
What is the InChIKey of [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is NRJBLINVVSMUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N3O2P/c16-15(17,18)10-2-1-8(5-12(10)24)14(22)21-4-3-9(7-21)11-6-13(19)23-20-11/h1-2,5-6,9H,3-4,7,19,24H2.
What are the key properties of [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone?
[3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 357.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 166483329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).