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

C20H20ClN3O2 — CID 45171905

IUPAC3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1nnc(CN(C)C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H20ClN3O2/c1-14-22-23-19(26-14)13-24(2)20(25)12-18(15-6-4-3-5-7-15)16-8-10-17(21)11-9-16/h3-11,18H,12-13H2,1-2H3
InChIKeyBPJTXOQLNWMAFJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.21
Rot. Bonds6

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

3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 45171905) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID45171905
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1nnc(CN(C)C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H20ClN3O2/c1-14-22-23-19(26-14)13-24(2)20(25)12-18(15-6-4-3-5-7-15)16-8-10-17(21)11-9-16/h3-11,18H,12-13H2,1-2H3
InChIKeyBPJTXOQLNWMAFJ-UHFFFAOYSA-N
XLogP4.21
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide (CID 45171905) is 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide is Cc1nnc(CN(C)C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is BPJTXOQLNWMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-22-23-19(26-14)13-24(2)20(25)12-18(15-6-4-3-5-7-15)16-8-10-17(21)11-9-16/h3-11,18H,12-13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide?
3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 369.85 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 45171905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).