N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C23H18F2N4O4 — CID 166108689

IUPACN-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2ccc(OC(F)F)nc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C23H18F2N4O4/c1-13-19(20(29-33-13)14-6-4-3-5-7-14)21(30)27-17-10-9-16(28-22(17)31-2)15-8-11-18(26-12-15)32-23(24)25/h3-12,23H,1-2H3,(H,27,30)
InChIKeyYKKSSZGBVYKSRR-UHFFFAOYSA-N
MW452.42 g/mol
LogP4.97
Rot. Bonds7

About N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166108689) has the molecular formula C23H18F2N4O4 and a molecular weight of 452.42 g/mol. Its IUPAC name is N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166108689
Molecular FormulaC23H18F2N4O4
Molecular Weight452.42 g/mol
Exact Mass452.13
IUPAC NameN-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2ccc(OC(F)F)nc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C23H18F2N4O4/c1-13-19(20(29-33-13)14-6-4-3-5-7-14)21(30)27-17-10-9-16(28-22(17)31-2)15-8-11-18(26-12-15)32-23(24)25/h3-12,23H,1-2H3,(H,27,30)
InChIKeyYKKSSZGBVYKSRR-UHFFFAOYSA-N
XLogP4.97
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166108689) is N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1nc(-c2ccc(OC(F)F)nc2)ccc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YKKSSZGBVYKSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O4/c1-13-19(20(29-33-13)14-6-4-3-5-7-14)21(30)27-17-10-9-16(28-22(17)31-2)15-8-11-18(26-12-15)32-23(24)25/h3-12,23H,1-2H3,(H,27,30).
What are the key properties of N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 452.42 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(difluoromethoxy)-3-pyridinyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).