N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide

C20H19ClFN3O2 — CID 30804673

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cc1F
InChIInChI=1S/C20H19ClFN3O2/c1-12(2)25(20(26)15-5-4-13(3)17(22)10-15)11-18-23-24-19(27-18)14-6-8-16(21)9-7-14/h4-10,12H,11H2,1-3H3
InChIKeyVYRWQFBEFLBAMQ-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.89
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide (PubChem CID 30804673) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide
PubChem CID30804673
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cc1F
InChIInChI=1S/C20H19ClFN3O2/c1-12(2)25(20(26)15-5-4-13(3)17(22)10-15)11-18-23-24-19(27-18)14-6-8-16(21)9-7-14/h4-10,12H,11H2,1-3H3
InChIKeyVYRWQFBEFLBAMQ-UHFFFAOYSA-N
XLogP4.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345713
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8699771
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 35345708
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345881
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 17405821
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 35346939
4-acetyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethyl-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 17421343
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 30804689
3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 55630767
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(3,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 30804674
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide (CID 30804673) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cc1F.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is VYRWQFBEFLBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-12(2)25(20(26)15-5-4-13(3)17(22)10-15)11-18-23-24-19(27-18)14-6-8-16(21)9-7-14/h4-10,12H,11H2,1-3H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 387.84 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 30804673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).