3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide

C22H15F2N3O2 — CID 11552887

IUPAC3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)cc1
InChIInChI=1S/C22H15F2N3O2/c1-13-2-3-15(22-26-8-9-29-22)10-17(13)14-4-6-16(7-5-14)27-21(28)20-18(23)11-25-12-19(20)24/h2-12H,1H3,(H,27,28)
InChIKeyABHZATVUDHEZLF-UHFFFAOYSA-N
MW391.38 g/mol
LogP5.24
Rot. Bonds4

About 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide

3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide (PubChem CID 11552887) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
PubChem CID11552887
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)cc1
InChIInChI=1S/C22H15F2N3O2/c1-13-2-3-15(22-26-8-9-29-22)10-17(13)14-4-6-16(7-5-14)27-21(28)20-18(23)11-25-12-19(20)24/h2-12H,1H3,(H,27,28)
InChIKeyABHZATVUDHEZLF-UHFFFAOYSA-N
XLogP5.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16737951
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-benzylphenyl)propane
CID 16735162
7-(4-Aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735384
3-[4-(Phenylamino)phenyl]-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]propan-1-one
CID 16736227
7-(Naphthalen-2-yl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736617
4-[5-(4-Methylphenyl)-1,3-oxazol-2-yl]pyridine
CID 616745
6-[2-[3-(4-Phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxamide
CID 24799118
3-(4-Phenylphenyl)-1-(5-pyridin-4-yl-1,3-oxazol-2-yl)propan-1-one
CID 24799489
Ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
CID 24800513
(R)-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)(5-(pyridin-2-yl)oxazol-2-yl)methanone
CID 52951691
(S)-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)(5-(pyridin-2-yl)oxazol-2-yl)methanone
CID 52952694
9-(5-Naphthalen-2-yl-1,3-oxazol-2-yl)-9-(pyridin-4-ylmethoxy)nonan-3-one
CID 156019161

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide (CID 11552887) is 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)c2c(F)cncc2F)cc1.
What is the InChIKey of 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The InChIKey is ABHZATVUDHEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c1-13-2-3-15(22-26-8-9-29-22)10-17(13)14-4-6-16(7-5-14)27-21(28)20-18(23)11-25-12-19(20)24/h2-12H,1H3,(H,27,28).
What are the key properties of 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 11552887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).