N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C22H16F3N3O3 — CID 72793912

IUPACN-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H16F3N3O3/c1-27(17-7-5-16(6-8-17)22(23,24)25)20(29)13-28-18-11-14(15-3-2-10-26-12-15)4-9-19(18)31-21(28)30/h2-12H,13H2,1H3
InChIKeyINPPXFAIFVJMMD-UHFFFAOYSA-N
MW427.38 g/mol
LogP4.34
Rot. Bonds4

About N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 72793912) has the molecular formula C22H16F3N3O3 and a molecular weight of 427.38 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID72793912
Molecular FormulaC22H16F3N3O3
Molecular Weight427.38 g/mol
Exact Mass427.11
IUPAC NameN-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H16F3N3O3/c1-27(17-7-5-16(6-8-17)22(23,24)25)20(29)13-28-18-11-14(15-3-2-10-26-12-15)4-9-19(18)31-21(28)30/h2-12H,13H2,1H3
InChIKeyINPPXFAIFVJMMD-UHFFFAOYSA-N
XLogP4.34
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 72793912) is N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is CN(C(=O)Cn1c(=O)oc2ccc(-c3cccnc3)cc21)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is INPPXFAIFVJMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O3/c1-27(17-7-5-16(6-8-17)22(23,24)25)20(29)13-28-18-11-14(15-3-2-10-26-12-15)4-9-19(18)31-21(28)30/h2-12H,13H2,1H3.
What are the key properties of N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 427.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-5-pyridin-3-yl-1,3-benzoxazol-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 72793912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).