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

C18H16F3N3O3 — CID 47026773

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(C)c1nc2cc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)ccc2o1
InChIInChI=1S/C18H16F3N3O3/c1-10(2)17-23-13-7-12(4-5-14(13)27-17)22-15(25)9-24-8-11(18(19,20)21)3-6-16(24)26/h3-8,10H,9H2,1-2H3,(H,22,25)
InChIKeyOWCHMPUBRSNNFZ-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.77
Rot. Bonds4

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

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 47026773) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
PubChem CID47026773
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(C)c1nc2cc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)ccc2o1
InChIInChI=1S/C18H16F3N3O3/c1-10(2)17-23-13-7-12(4-5-14(13)27-17)22-15(25)9-24-8-11(18(19,20)21)3-6-16(24)26/h3-8,10H,9H2,1-2H3,(H,22,25)
InChIKeyOWCHMPUBRSNNFZ-UHFFFAOYSA-N
XLogP3.77
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide with MolForge

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Related Compounds

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46416382
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7999178
N-(4-methyl-3-sulfamoylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 30502354
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2623827
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)propanamide
CID 53017044
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 47026774
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8850331

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide (CID 47026773) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide is CC(C)c1nc2cc(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)ccc2o1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is OWCHMPUBRSNNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-10(2)17-23-13-7-12(4-5-14(13)27-17)22-15(25)9-24-8-11(18(19,20)21)3-6-16(24)26/h3-8,10H,9H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 379.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 47026773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).