4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide

C26H21F2N3O4 — CID 46689015

IUPAC4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc2)cc1
InChIInChI=1S/C26H21F2N3O4/c1-34-19-11-9-18(10-12-19)31-26(33)16-5-7-17(8-6-16)30-23(32)13-14-24-29-15-22(35-24)25-20(27)3-2-4-21(25)28/h2-12,15H,13-14H2,1H3,(H,30,32)(H,31,33)
InChIKeyBYXCUXKCDREBNA-UHFFFAOYSA-N
MW477.47 g/mol
LogP5.45
Rot. Bonds8

About 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide

4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide (PubChem CID 46689015) has the molecular formula C26H21F2N3O4 and a molecular weight of 477.47 g/mol. Its IUPAC name is 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
PubChem CID46689015
Molecular FormulaC26H21F2N3O4
Molecular Weight477.47 g/mol
Exact Mass477.15
IUPAC Name4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc2)cc1
InChIInChI=1S/C26H21F2N3O4/c1-34-19-11-9-18(10-12-19)31-26(33)16-5-7-17(8-6-16)30-23(32)13-14-24-29-15-22(35-24)25-20(27)3-2-4-21(25)28/h2-12,15H,13-14H2,1H3,(H,30,32)(H,31,33)
InChIKeyBYXCUXKCDREBNA-UHFFFAOYSA-N
XLogP5.45
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.47
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 25399121
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
CID 38736078
(7-methoxynaphthalen-2-yl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46690882
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 30873277
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24626413
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55996525

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide (CID 46689015) is 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc2)cc1.
What is the InChIKey of 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is BYXCUXKCDREBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O4/c1-34-19-11-9-18(10-12-19)31-26(33)16-5-7-17(8-6-16)30-23(32)13-14-24-29-15-22(35-24)25-20(27)3-2-4-21(25)28/h2-12,15H,13-14H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide?
4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 477.47 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 46689015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).