4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

C21H20F3N3O5 — CID 55712222

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C21H20F3N3O5/c1-12-16(13(2)32-27-12)10-30-17-6-4-14(8-18(17)29-3)20(28)26-15-5-7-19(25-9-15)31-11-21(22,23)24/h4-9H,10-11H2,1-3H3,(H,26,28)
InChIKeyDWIWTPZJKKOZNW-UHFFFAOYSA-N
MW451.40 g/mol
LogP4.47
Rot. Bonds8

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (PubChem CID 55712222) has the molecular formula C21H20F3N3O5 and a molecular weight of 451.40 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
PubChem CID55712222
Molecular FormulaC21H20F3N3O5
Molecular Weight451.40 g/mol
Exact Mass451.14
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)ccc1OCc1c(C)noc1C
InChIInChI=1S/C21H20F3N3O5/c1-12-16(13(2)32-27-12)10-30-17-6-4-14(8-18(17)29-3)20(28)26-15-5-7-19(25-9-15)31-11-21(22,23)24/h4-9H,10-11H2,1-3H3,(H,26,28)
InChIKeyDWIWTPZJKKOZNW-UHFFFAOYSA-N
XLogP4.47
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46433797
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CID 26086460
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26689787
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 46555174
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 55509371
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 27681684
2-[2,6-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]phenoxy]acetic acid
CID 120549355
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N,3-dimethoxy-N-methylbenzamide
CID 17465264

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide (CID 55712222) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is COc1cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
The InChIKey is DWIWTPZJKKOZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O5/c1-12-16(13(2)32-27-12)10-30-17-6-4-14(8-18(17)29-3)20(28)26-15-5-7-19(25-9-15)31-11-21(22,23)24/h4-9H,10-11H2,1-3H3,(H,26,28).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide has a molecular weight of 451.40 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide is sourced from PubChem (CID 55712222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).