[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C23H21F3N2O2 — CID 15231386

IUPAC[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-19(6-8-20)22(29)28-12-9-17(10-13-28)15-16-1-3-18(4-2-16)21-27-11-14-30-21/h1-8,15H,9-14H2
InChIKeyKLNRNRKDOKSJSW-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.80
Rot. Bonds3

About [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 15231386) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID15231386
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-19(6-8-20)22(29)28-12-9-17(10-13-28)15-16-1-3-18(4-2-16)21-27-11-14-30-21/h1-8,15H,9-14H2
InChIKeyKLNRNRKDOKSJSW-UHFFFAOYSA-N
XLogP4.80
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 15231386) is [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1.
What is the InChIKey of [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is KLNRNRKDOKSJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-19(6-8-20)22(29)28-12-9-17(10-13-28)15-16-1-3-18(4-2-16)21-27-11-14-30-21/h1-8,15H,9-14H2.
What are the key properties of [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 414.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 15231386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).