4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide

C21H19F3N2O2 — CID 126746834

IUPAC4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
SMILESC/C=C\C(=C/C)C1(C(F)(F)F)CC(c2ccc(C(N)=O)c3ccccc23)=NO1
InChIInChI=1S/C21H19F3N2O2/c1-3-7-13(4-2)20(21(22,23)24)12-18(26-28-20)16-10-11-17(19(25)27)15-9-6-5-8-14(15)16/h3-11H,12H2,1-2H3,(H2,25,27)/b7-3-,13-4+
InChIKeyCFSXFEKRDFJLSO-UWNVVLRYSA-N
MW388.39 g/mol
LogP4.89
Rot. Bonds4

About 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide

4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide (PubChem CID 126746834) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
PubChem CID126746834
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
SMILESC/C=C\C(=C/C)C1(C(F)(F)F)CC(c2ccc(C(N)=O)c3ccccc23)=NO1
InChIInChI=1S/C21H19F3N2O2/c1-3-7-13(4-2)20(21(22,23)24)12-18(26-28-20)16-10-11-17(19(25)27)15-9-6-5-8-14(15)16/h3-11H,12H2,1-2H3,(H2,25,27)/b7-3-,13-4+
InChIKeyCFSXFEKRDFJLSO-UWNVVLRYSA-N
XLogP4.89
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide (CID 126746834) is 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide is C/C=C\C(=C/C)C1(C(F)(F)F)CC(c2ccc(C(N)=O)c3ccccc23)=NO1.
What is the InChIKey of 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is CFSXFEKRDFJLSO-UWNVVLRYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-3-7-13(4-2)20(21(22,23)24)12-18(26-28-20)16-10-11-17(19(25)27)15-9-6-5-8-14(15)16/h3-11H,12H2,1-2H3,(H2,25,27)/b7-3-,13-4+.
What are the key properties of 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide?
4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 126746834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).