propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate

C17H22ClN3O3 — CID 78825656

IUPACpropan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC(C)C)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H22ClN3O3/c1-4-9-21(11-16(22)23-12(2)3)10-15-19-20-17(24-15)13-7-5-6-8-14(13)18/h5-8,12H,4,9-11H2,1-3H3
InChIKeyBPHWZTDSIGUCNA-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.55
Rot. Bonds8

About propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate

propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate (PubChem CID 78825656) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
PubChem CID78825656
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Namepropan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC(C)C)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H22ClN3O3/c1-4-9-21(11-16(22)23-12(2)3)10-15-19-20-17(24-15)13-7-5-6-8-14(13)18/h5-8,12H,4,9-11H2,1-3H3
InChIKeyBPHWZTDSIGUCNA-UHFFFAOYSA-N
XLogP3.55
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate?
The IUPAC name of propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate (CID 78825656) is propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate.
What is the SMILES notation for propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate?
The canonical SMILES for propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate is CCCN(CC(=O)OC(C)C)Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate?
The InChIKey is BPHWZTDSIGUCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-4-9-21(11-16(22)23-12(2)3)10-15-19-20-17(24-15)13-7-5-6-8-14(13)18/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate?
propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate has a molecular weight of 351.83 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate is sourced from PubChem (CID 78825656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).