N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide

C19H18ClN3O2S — CID 78788628

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C=Cc1cccs1
InChIInChI=1S/C19H18ClN3O2S/c1-2-11-23(18(24)10-9-14-6-5-12-26-14)13-17-21-22-19(25-17)15-7-3-4-8-16(15)20/h3-10,12H,2,11,13H2,1H3
InChIKeyBHVGZYGMHXLVLD-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.90
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 78788628) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
PubChem CID78788628
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C=Cc1cccs1
InChIInChI=1S/C19H18ClN3O2S/c1-2-11-23(18(24)10-9-14-6-5-12-26-14)13-17-21-22-19(25-17)15-7-3-4-8-16(15)20/h3-10,12H,2,11,13H2,1H3
InChIKeyBHVGZYGMHXLVLD-UHFFFAOYSA-N
XLogP4.90
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide (CID 78788628) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C=Cc1cccs1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BHVGZYGMHXLVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-2-11-23(18(24)10-9-14-6-5-12-26-14)13-17-21-22-19(25-17)15-7-3-4-8-16(15)20/h3-10,12H,2,11,13H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 387.89 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 78788628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).