N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C20H23N3O3S — CID 119046394

IUPACN-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCOc1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)c(C)c1
InChIInChI=1S/C20H23N3O3S/c1-3-9-25-17-5-4-15(14(2)11-17)12-21-18(24)6-7-19-22-23-20(26-19)16-8-10-27-13-16/h4-5,8,10-11,13H,3,6-7,9,12H2,1-2H3,(H,21,24)
InChIKeyGGJTUALRXMVWBS-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.14
Rot. Bonds9

About N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 119046394) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID119046394
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCOc1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)c(C)c1
InChIInChI=1S/C20H23N3O3S/c1-3-9-25-17-5-4-15(14(2)11-17)12-21-18(24)6-7-19-22-23-20(26-19)16-8-10-27-13-16/h4-5,8,10-11,13H,3,6-7,9,12H2,1-2H3,(H,21,24)
InChIKeyGGJTUALRXMVWBS-UHFFFAOYSA-N
XLogP4.14
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 119046394) is N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CCCOc1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)c(C)c1.
What is the InChIKey of N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is GGJTUALRXMVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-9-25-17-5-4-15(14(2)11-17)12-21-18(24)6-7-19-22-23-20(26-19)16-8-10-27-13-16/h4-5,8,10-11,13H,3,6-7,9,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 385.49 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 119046394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).