2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide

C21H15F2N3O2 — CID 166322453

IUPAC2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1cccc(C(F)(F)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1
InChIInChI=1S/C21H15F2N3O2/c1-13-5-4-6-14(11-13)21(22,23)20(27)25-15-8-9-16-18(12-15)28-19(26-16)17-7-2-3-10-24-17/h2-12H,1H3,(H,25,27)
InChIKeyVHFVXGGGVRNGHR-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.93
Rot. Bonds4

About 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide

2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide (PubChem CID 166322453) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide
PubChem CID166322453
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1cccc(C(F)(F)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1
InChIInChI=1S/C21H15F2N3O2/c1-13-5-4-6-14(11-13)21(22,23)20(27)25-15-8-9-16-18(12-15)28-19(26-16)17-7-2-3-10-24-17/h2-12H,1H3,(H,25,27)
InChIKeyVHFVXGGGVRNGHR-UHFFFAOYSA-N
XLogP4.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(propanoylamino)phenyl]-N'-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)oxamide
CID 146129396
4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid
CID 122089064
1-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
CID 97339290
5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
1-(1-cyanopropan-2-yl)-1-methyl-3-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)urea
CID 84597798
5-methyl-1-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102761
2-pyridin-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 155776669
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
(3aR,7aS)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 146150026
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 9185246
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
2-chloro-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 16740413

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide (CID 166322453) is 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide is Cc1cccc(C(F)(F)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1.
What is the InChIKey of 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is VHFVXGGGVRNGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c1-13-5-4-6-14(11-13)21(22,23)20(27)25-15-8-9-16-18(12-15)28-19(26-16)17-7-2-3-10-24-17/h2-12H,1H3,(H,25,27).
What are the key properties of 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide?
2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 379.37 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-methylphenyl)-N-(2-pyridin-2-yl-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 166322453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).