N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide

C17H10F6N2O3 — CID 11988404

IUPACN-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1cccc2onc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12
InChIInChI=1S/C17H10F6N2O3/c1-27-11-3-2-4-12-13(11)14(25-28-12)24-15(26)8-5-9(16(18,19)20)7-10(6-8)17(21,22)23/h2-7H,1H3,(H,24,25,26)
InChIKeyMATXZYLZYYWXLV-UHFFFAOYSA-N
MW404.27 g/mol
LogP5.13
Rot. Bonds3

About N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide

N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 11988404) has the molecular formula C17H10F6N2O3 and a molecular weight of 404.27 g/mol. Its IUPAC name is N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID11988404
Molecular FormulaC17H10F6N2O3
Molecular Weight404.27 g/mol
Exact Mass404.06
IUPAC NameN-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1cccc2onc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12
InChIInChI=1S/C17H10F6N2O3/c1-27-11-3-2-4-12-13(11)14(25-28-12)24-15(26)8-5-9(16(18,19)20)7-10(6-8)17(21,22)23/h2-7H,1H3,(H,24,25,26)
InChIKeyMATXZYLZYYWXLV-UHFFFAOYSA-N
XLogP5.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide (CID 11988404) is N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide is COc1cccc2onc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12.
What is the InChIKey of N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is MATXZYLZYYWXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O3/c1-27-11-3-2-4-12-13(11)14(25-28-12)24-15(26)8-5-9(16(18,19)20)7-10(6-8)17(21,22)23/h2-7H,1H3,(H,24,25,26).
What are the key properties of N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 404.27 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,2-benzoxazol-3-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 11988404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).