1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

C14H14FN3O2 — CID 172890629

IUPAC1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCc1nnc(C2(C(=O)Nc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C14H14FN3O2/c1-2-11-17-18-13(20-11)14(7-8-14)12(19)16-10-5-3-9(15)4-6-10/h3-6H,2,7-8H2,1H3,(H,16,19)
InChIKeyTXZPYYGTRWOBMS-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.44
Rot. Bonds4

About 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 172890629) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID172890629
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCc1nnc(C2(C(=O)Nc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C14H14FN3O2/c1-2-11-17-18-13(20-11)14(7-8-14)12(19)16-10-5-3-9(15)4-6-10/h3-6H,2,7-8H2,1H3,(H,16,19)
InChIKeyTXZPYYGTRWOBMS-UHFFFAOYSA-N
XLogP2.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 172890629) is 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide is CCc1nnc(C2(C(=O)Nc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is TXZPYYGTRWOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-11-17-18-13(20-11)14(7-8-14)12(19)16-10-5-3-9(15)4-6-10/h3-6H,2,7-8H2,1H3,(H,16,19).
What are the key properties of 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 172890629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).