N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide

C18H16F4N4O4 — CID 53311739

IUPACN-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESO=C(CCc1noc(C(F)(F)F)n1)NCCC(O)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16F4N4O4/c19-11-3-1-10(2-4-11)16-24-12(9-29-16)13(27)7-8-23-15(28)6-5-14-25-17(30-26-14)18(20,21)22/h1-4,9,13,27H,5-8H2,(H,23,28)
InChIKeyZWJMMNTXAPMQTG-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.06
Rot. Bonds8

About N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide

N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide (PubChem CID 53311739) has the molecular formula C18H16F4N4O4 and a molecular weight of 428.34 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
PubChem CID53311739
Molecular FormulaC18H16F4N4O4
Molecular Weight428.34 g/mol
Exact Mass428.11
IUPAC NameN-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
SMILESO=C(CCc1noc(C(F)(F)F)n1)NCCC(O)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16F4N4O4/c19-11-3-1-10(2-4-11)16-24-12(9-29-16)13(27)7-8-23-15(28)6-5-14-25-17(30-26-14)18(20,21)22/h1-4,9,13,27H,5-8H2,(H,23,28)
InChIKeyZWJMMNTXAPMQTG-UHFFFAOYSA-N
XLogP3.06
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol
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N-(4-fluorophenyl)-2,2-dimethyl-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]hexanamide
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2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664
2-methylsulfanyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77080312
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 162564621
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propanoic acid
CID 67322415
2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
CID 53098271
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
N-tert-butyl-2-[[N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111382972
N-[5-(dimethylamino)-2-pyridinyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The IUPAC name of N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide (CID 53311739) is N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide is O=C(CCc1noc(C(F)(F)F)n1)NCCC(O)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
The InChIKey is ZWJMMNTXAPMQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O4/c19-11-3-1-10(2-4-11)16-24-12(9-29-16)13(27)7-8-23-15(28)6-5-14-25-17(30-26-14)18(20,21)22/h1-4,9,13,27H,5-8H2,(H,23,28).
What are the key properties of N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide?
N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide has a molecular weight of 428.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-3-hydroxypropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 53311739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).