1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide

C19H15ClFN3O2 — CID 172890600

IUPAC1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2nnc(Cc3ccccc3Cl)o2)CC1
InChIInChI=1S/C19H15ClFN3O2/c20-15-4-2-1-3-12(15)11-16-23-24-18(26-16)19(9-10-19)17(25)22-14-7-5-13(21)6-8-14/h1-8H,9-11H2,(H,22,25)
InChIKeyREDWUXPDIANZIV-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.12
Rot. Bonds5

About 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide

1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 172890600) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID172890600
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2nnc(Cc3ccccc3Cl)o2)CC1
InChIInChI=1S/C19H15ClFN3O2/c20-15-4-2-1-3-12(15)11-16-23-24-18(26-16)19(9-10-19)17(25)22-14-7-5-13(21)6-8-14/h1-8H,9-11H2,(H,22,25)
InChIKeyREDWUXPDIANZIV-UHFFFAOYSA-N
XLogP4.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 172890600) is 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2nnc(Cc3ccccc3Cl)o2)CC1.
What is the InChIKey of 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is REDWUXPDIANZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-15-4-2-1-3-12(15)11-16-23-24-18(26-16)19(9-10-19)17(25)22-14-7-5-13(21)6-8-14/h1-8H,9-11H2,(H,22,25).
What are the key properties of 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 172890600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).