N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide

C19H13F3N4O2 — CID 72551024

IUPACN-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide
SMILESCc1ncc2oc(-c3ccc(NC(=O)Cc4cc(F)cc(F)c4F)cc3)nn12
InChIInChI=1S/C19H13F3N4O2/c1-10-23-9-17-26(10)25-19(28-17)11-2-4-14(5-3-11)24-16(27)7-12-6-13(20)8-15(21)18(12)22/h2-6,8-9H,7H2,1H3,(H,24,27)
InChIKeySNRBWRPOKHHHDZ-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.90
Rot. Bonds4

About N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide

N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide (PubChem CID 72551024) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide
PubChem CID72551024
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC NameN-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide
SMILESCc1ncc2oc(-c3ccc(NC(=O)Cc4cc(F)cc(F)c4F)cc3)nn12
InChIInChI=1S/C19H13F3N4O2/c1-10-23-9-17-26(10)25-19(28-17)11-2-4-14(5-3-11)24-16(27)7-12-6-13(20)8-15(21)18(12)22/h2-6,8-9H,7H2,1H3,(H,24,27)
InChIKeySNRBWRPOKHHHDZ-UHFFFAOYSA-N
XLogP3.90
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide?
The IUPAC name of N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide (CID 72551024) is N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide.
What is the SMILES notation for N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide?
The canonical SMILES for N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide is Cc1ncc2oc(-c3ccc(NC(=O)Cc4cc(F)cc(F)c4F)cc3)nn12.
What is the InChIKey of N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide?
The InChIKey is SNRBWRPOKHHHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c1-10-23-9-17-26(10)25-19(28-17)11-2-4-14(5-3-11)24-16(27)7-12-6-13(20)8-15(21)18(12)22/h2-6,8-9H,7H2,1H3,(H,24,27).
What are the key properties of N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide?
N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide has a molecular weight of 386.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylimidazo[5,1-b][1,3,4]oxadiazol-2-yl)phenyl]-2-(2,3,5-trifluorophenyl)acetamide is sourced from PubChem (CID 72551024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).