N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide

C15H11F3N4O2 — CID 71813982

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cc2o1
InChIInChI=1S/C15H11F3N4O2/c1-7(23)21-14-22-11-3-2-8(5-12(11)24-14)9-4-10(15(16,17)18)13(19)20-6-9/h2-6H,1H3,(H2,19,20)(H,21,22,23)
InChIKeyGVANWFSFGGXKAY-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.45
Rot. Bonds2

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide (PubChem CID 71813982) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
PubChem CID71813982
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cc2o1
InChIInChI=1S/C15H11F3N4O2/c1-7(23)21-14-22-11-3-2-8(5-12(11)24-14)9-4-10(15(16,17)18)13(19)20-6-9/h2-6H,1H3,(H2,19,20)(H,21,22,23)
InChIKeyGVANWFSFGGXKAY-UHFFFAOYSA-N
XLogP3.45
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide (CID 71813982) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cc2o1.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide?
The InChIKey is GVANWFSFGGXKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-7(23)21-14-22-11-3-2-8(5-12(11)24-14)9-4-10(15(16,17)18)13(19)20-6-9/h2-6H,1H3,(H2,19,20)(H,21,22,23).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide has a molecular weight of 336.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide is sourced from PubChem (CID 71813982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).