N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine

C22H17F3N2O — CID 139985803

IUPACN-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine
SMILESFC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1cccc2ccccc12
InChIInChI=1S/C22H17F3N2O/c23-22(24,25)20(26-18-12-6-10-15-7-4-5-11-17(15)18)13-21-27-19(14-28-21)16-8-2-1-3-9-16/h1-13,19,26H,14H2
InChIKeyBXNWZPVCLMVUID-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.87
Rot. Bonds4

About N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine

N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine (PubChem CID 139985803) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine
PubChem CID139985803
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine
SMILESFC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1cccc2ccccc12
InChIInChI=1S/C22H17F3N2O/c23-22(24,25)20(26-18-12-6-10-15-7-4-5-11-17(15)18)13-21-27-19(14-28-21)16-8-2-1-3-9-16/h1-13,19,26H,14H2
InChIKeyBXNWZPVCLMVUID-UHFFFAOYSA-N
XLogP5.87
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine?
The IUPAC name of N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine (CID 139985803) is N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine.
What is the SMILES notation for N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine?
The canonical SMILES for N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine is FC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1cccc2ccccc12.
What is the InChIKey of N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine?
The InChIKey is BXNWZPVCLMVUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c23-22(24,25)20(26-18-12-6-10-15-7-4-5-11-17(15)18)13-21-27-19(14-28-21)16-8-2-1-3-9-16/h1-13,19,26H,14H2.
What are the key properties of N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine?
N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine has a molecular weight of 382.39 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]naphthalen-1-amine is sourced from PubChem (CID 139985803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).