N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H12F6N2O3 — CID 2744297

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H12F6N2O3/c19-17(20,21)10-7-11(18(22,23)24)9-12(8-10)25-15(27)5-6-26-13-3-1-2-4-14(13)29-16(26)28/h1-4,7-9H,5-6H2,(H,25,27)
InChIKeyFJFDJBLJSMNGDR-UHFFFAOYSA-N
MW418.29 g/mol
LogP4.66
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 2744297) has the molecular formula C18H12F6N2O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID2744297
Molecular FormulaC18H12F6N2O3
Molecular Weight418.29 g/mol
Exact Mass418.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H12F6N2O3/c19-17(20,21)10-7-11(18(22,23)24)9-12(8-10)25-15(27)5-6-26-13-3-1-2-4-14(13)29-16(26)28/h1-4,7-9H,5-6H2,(H,25,27)
InChIKeyFJFDJBLJSMNGDR-UHFFFAOYSA-N
XLogP4.66
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 2744297) is N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is FJFDJBLJSMNGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O3/c19-17(20,21)10-7-11(18(22,23)24)9-12(8-10)25-15(27)5-6-26-13-3-1-2-4-14(13)29-16(26)28/h1-4,7-9H,5-6H2,(H,25,27).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 418.29 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 2744297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).