4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide

C18H16F3N3O3 — CID 155472000

IUPAC4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1ccc(C2=NOCC2)c2ccccc12)NCC(F)(F)F
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)10-23-16(25)9-22-17(26)14-6-5-13(15-7-8-27-24-15)11-3-1-2-4-12(11)14/h1-6H,7-10H2,(H,22,26)(H,23,25)
InChIKeyKEYRUTYUNJLJAM-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.37
Rot. Bonds5

About 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide

4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide (PubChem CID 155472000) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
PubChem CID155472000
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1ccc(C2=NOCC2)c2ccccc12)NCC(F)(F)F
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)10-23-16(25)9-22-17(26)14-6-5-13(15-7-8-27-24-15)11-3-1-2-4-12(11)14/h1-6H,7-10H2,(H,22,26)(H,23,25)
InChIKeyKEYRUTYUNJLJAM-UHFFFAOYSA-N
XLogP2.37
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide (CID 155472000) is 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide is O=C(CNC(=O)c1ccc(C2=NOCC2)c2ccccc12)NCC(F)(F)F.
What is the InChIKey of 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
The InChIKey is KEYRUTYUNJLJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-18(20,21)10-23-16(25)9-22-17(26)14-6-5-13(15-7-8-27-24-15)11-3-1-2-4-12(11)14/h1-6H,7-10H2,(H,22,26)(H,23,25).
What are the key properties of 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide?
4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,2-oxazol-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 155472000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).