N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide

C22H20ClF2N3O4 — CID 16547451

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C22H20ClF2N3O4/c1-2-30-18-11-14(5-10-17(18)31-22(24)25)21(29)28(16-8-9-16)12-19-26-27-20(32-19)13-3-6-15(23)7-4-13/h3-7,10-11,16,22H,2,8-9,12H2,1H3
InChIKeyVDBMZBBHFMSKCW-UHFFFAOYSA-N
MW463.87 g/mol
LogP5.19
Rot. Bonds9

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide (PubChem CID 16547451) has the molecular formula C22H20ClF2N3O4 and a molecular weight of 463.87 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide
PubChem CID16547451
Molecular FormulaC22H20ClF2N3O4
Molecular Weight463.87 g/mol
Exact Mass463.11
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C22H20ClF2N3O4/c1-2-30-18-11-14(5-10-17(18)31-22(24)25)21(29)28(16-8-9-16)12-19-26-27-20(32-19)13-3-6-15(23)7-4-13/h3-7,10-11,16,22H,2,8-9,12H2,1H3
InChIKeyVDBMZBBHFMSKCW-UHFFFAOYSA-N
XLogP5.19
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.87
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-4-carboxamide
CID 17400992
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(2-ethoxyphenoxy)butanamide
CID 55332893
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16598066
2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole
CID 19552698
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2,4-difluorobenzamide
CID 8699727
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55405918
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 75372969
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propoxyphenoxy)acetamide
CID 55332851
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 16557620
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(tetrazol-1-yl)benzamide
CID 55333069
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8834974
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 35346939

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide (CID 16547451) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide is CCOc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide?
The InChIKey is VDBMZBBHFMSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N3O4/c1-2-30-18-11-14(5-10-17(18)31-22(24)25)21(29)28(16-8-9-16)12-19-26-27-20(32-19)13-3-6-15(23)7-4-13/h3-7,10-11,16,22H,2,8-9,12H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide has a molecular weight of 463.87 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(difluoromethoxy)-3-ethoxybenzamide is sourced from PubChem (CID 16547451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).