N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide

C24H23F2N3O2 — CID 59517966

IUPACN-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)c(C)o2)CC1
InChIInChI=1S/C24H23F2N3O2/c1-14-11-12-29(24-27-15(2)16(3)31-24)13-19(14)17-7-9-18(10-8-17)28-23(30)22-20(25)5-4-6-21(22)26/h4-10H,11-13H2,1-3H3,(H,28,30)
InChIKeyVXDSWWDKIGLETA-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.51
Rot. Bonds4

About N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide

N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide (PubChem CID 59517966) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
PubChem CID59517966
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC NameN-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)c(C)o2)CC1
InChIInChI=1S/C24H23F2N3O2/c1-14-11-12-29(24-27-15(2)16(3)31-24)13-19(14)17-7-9-18(10-8-17)28-23(30)22-20(25)5-4-6-21(22)26/h4-10H,11-13H2,1-3H3,(H,28,30)
InChIKeyVXDSWWDKIGLETA-UHFFFAOYSA-N
XLogP5.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide (CID 59517966) is N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide is CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)c(C)o2)CC1.
What is the InChIKey of N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide?
The InChIKey is VXDSWWDKIGLETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-14-11-12-29(24-27-15(2)16(3)31-24)13-19(14)17-7-9-18(10-8-17)28-23(30)22-20(25)5-4-6-21(22)26/h4-10H,11-13H2,1-3H3,(H,28,30).
What are the key properties of N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide?
N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide has a molecular weight of 423.46 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 59517966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).