2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

C21H15F2N3O2 — CID 55888858

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C21H15F2N3O2/c22-14-8-9-19(17(23)11-14)26(13-15-5-3-4-10-24-15)21(27)12-18-16-6-1-2-7-20(16)28-25-18/h1-11H,12-13H2
InChIKeyHABZYNOBNMHYGN-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.28
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 55888858) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID55888858
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C21H15F2N3O2/c22-14-8-9-19(17(23)11-14)26(13-15-5-3-4-10-24-15)21(27)12-18-16-6-1-2-7-20(16)28-25-18/h1-11H,12-13H2
InChIKeyHABZYNOBNMHYGN-UHFFFAOYSA-N
XLogP4.28
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 55890396
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
N-[3-[2,4-difluoro-N-(pyridin-2-ylmethyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55889493
N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55890519
N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889361
2-(1,2-benzoxazol-3-yl)-N-[[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497823
1-(1,3-benzoxazol-2-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 47063538
3-(3-cyclopentyloxyphenyl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 56527894
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889236
N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 55890007
2-(1,2-benzoxazol-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 87006319
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 55888858) is 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1noc2ccccc12)N(Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is HABZYNOBNMHYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-14-8-9-19(17(23)11-14)26(13-15-5-3-4-10-24-15)21(27)12-18-16-6-1-2-7-20(16)28-25-18/h1-11H,12-13H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 379.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 55888858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).