N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide

C24H19F2N3O4 — CID 67515792

IUPACN-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide
SMILESCOc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C24H19F2N3O4/c1-24(2)22(30)21(29-33-24)13-7-10-19(32-3)15(11-13)18-9-8-14(12-27-18)28-23(31)20-16(25)5-4-6-17(20)26/h4-12H,1-3H3,(H,28,31)
InChIKeyDZMUSTHWHKLETA-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.37
Rot. Bonds5

About N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide

N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide (PubChem CID 67515792) has the molecular formula C24H19F2N3O4 and a molecular weight of 451.43 g/mol. Its IUPAC name is N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide
PubChem CID67515792
Molecular FormulaC24H19F2N3O4
Molecular Weight451.43 g/mol
Exact Mass451.13
IUPAC NameN-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide
SMILESCOc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C24H19F2N3O4/c1-24(2)22(30)21(29-33-24)13-7-10-19(32-3)15(11-13)18-9-8-14(12-27-18)28-23(31)20-16(25)5-4-6-17(20)26/h4-12H,1-3H3,(H,28,31)
InChIKeyDZMUSTHWHKLETA-UHFFFAOYSA-N
XLogP4.37
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide (CID 67515792) is N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide is COc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is DZMUSTHWHKLETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O4/c1-24(2)22(30)21(29-33-24)13-7-10-19(32-3)15(11-13)18-9-8-14(12-27-18)28-23(31)20-16(25)5-4-6-17(20)26/h4-12H,1-3H3,(H,28,31).
What are the key properties of N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide?
N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 451.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]-3-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 67515792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).