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

C18H22ClN3O2 — CID 46987829

IUPAC1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)C2(c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C18H22ClN3O2/c1-3-5-16-20-15(21-24-16)12-22(4-2)17(23)18(10-11-18)13-6-8-14(19)9-7-13/h6-9H,3-5,10-12H2,1-2H3
InChIKeyQGOJFMSJBOMERM-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.76
Rot. Bonds7

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

1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 46987829) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID46987829
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCCCc1nc(CN(CC)C(=O)C2(c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C18H22ClN3O2/c1-3-5-16-20-15(21-24-16)12-22(4-2)17(23)18(10-11-18)13-6-8-14(19)9-7-13/h6-9H,3-5,10-12H2,1-2H3
InChIKeyQGOJFMSJBOMERM-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 46987829) is 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide is CCCc1nc(CN(CC)C(=O)C2(c3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QGOJFMSJBOMERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-5-16-20-15(21-24-16)12-22(4-2)17(23)18(10-11-18)13-6-8-14(19)9-7-13/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46987829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).