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

C17H18N4O3S — CID 46956982

IUPAC3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCc1nnc(-c2scnc2C)o1
InChIInChI=1S/C17H18N4O3S/c1-11-16(25-10-19-11)17-21-20-15(24-17)9-18-14(22)8-7-12-5-3-4-6-13(12)23-2/h3-6,10H,7-9H2,1-2H3,(H,18,22)
InChIKeyBHDHFNMGBJLAAS-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.76
Rot. Bonds7

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

3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (PubChem CID 46956982) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
PubChem CID46956982
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCc1nnc(-c2scnc2C)o1
InChIInChI=1S/C17H18N4O3S/c1-11-16(25-10-19-11)17-21-20-15(24-17)9-18-14(22)8-7-12-5-3-4-6-13(12)23-2/h3-6,10H,7-9H2,1-2H3,(H,18,22)
InChIKeyBHDHFNMGBJLAAS-UHFFFAOYSA-N
XLogP2.76
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide (CID 46956982) is 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is COc1ccccc1CCC(=O)NCc1nnc(-c2scnc2C)o1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
The InChIKey is BHDHFNMGBJLAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-16(25-10-19-11)17-21-20-15(24-17)9-18-14(22)8-7-12-5-3-4-6-13(12)23-2/h3-6,10H,7-9H2,1-2H3,(H,18,22).
What are the key properties of 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide?
3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide has a molecular weight of 358.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 46956982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).