N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H11F3N4O2 — CID 26698851

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1nc2cc(NC(=O)Cn3ccc(C(F)(F)F)n3)ccc2o1
InChIInChI=1S/C14H11F3N4O2/c1-8-18-10-6-9(2-3-11(10)23-8)19-13(22)7-21-5-4-12(20-21)14(15,16)17/h2-6H,7H2,1H3,(H,19,22)
InChIKeyPQYCKMXIVOJLEC-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.99
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 26698851) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID26698851
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1nc2cc(NC(=O)Cn3ccc(C(F)(F)F)n3)ccc2o1
InChIInChI=1S/C14H11F3N4O2/c1-8-18-10-6-9(2-3-11(10)23-8)19-13(22)7-21-5-4-12(20-21)14(15,16)17/h2-6H,7H2,1H3,(H,19,22)
InChIKeyPQYCKMXIVOJLEC-UHFFFAOYSA-N
XLogP2.99
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 26698851) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1nc2cc(NC(=O)Cn3ccc(C(F)(F)F)n3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is PQYCKMXIVOJLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c1-8-18-10-6-9(2-3-11(10)23-8)19-13(22)7-21-5-4-12(20-21)14(15,16)17/h2-6H,7H2,1H3,(H,19,22).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 324.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 26698851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).