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

C21H26N4O4S — CID 42383402

IUPAC3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
SMILESCOc1ccc(OC)c(Cc2nnc(CCC(=O)NCCCc3scnc3C)o2)c1
InChIInChI=1S/C21H26N4O4S/c1-14-18(30-13-23-14)5-4-10-22-19(26)8-9-20-24-25-21(29-20)12-15-11-16(27-2)6-7-17(15)28-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,22,26)
InChIKeySGOHRPDULIVLRP-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.12
Rot. Bonds11

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

3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide (PubChem CID 42383402) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
PubChem CID42383402
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
SMILESCOc1ccc(OC)c(Cc2nnc(CCC(=O)NCCCc3scnc3C)o2)c1
InChIInChI=1S/C21H26N4O4S/c1-14-18(30-13-23-14)5-4-10-22-19(26)8-9-20-24-25-21(29-20)12-15-11-16(27-2)6-7-17(15)28-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,22,26)
InChIKeySGOHRPDULIVLRP-UHFFFAOYSA-N
XLogP3.12
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 110718437
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylpropanamide
CID 42513539
N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56906594
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-4-ylpropyl)propanamide
CID 45173485
N-(2,4-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679711
2-(8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 126465722
3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70773903
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334870
1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25309528
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide?
The IUPAC name of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide (CID 42383402) is 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide.
What is the SMILES notation for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide?
The canonical SMILES for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide is COc1ccc(OC)c(Cc2nnc(CCC(=O)NCCCc3scnc3C)o2)c1.
What is the InChIKey of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide?
The InChIKey is SGOHRPDULIVLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14-18(30-13-23-14)5-4-10-22-19(26)8-9-20-24-25-21(29-20)12-15-11-16(27-2)6-7-17(15)28-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,22,26).
What are the key properties of 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide?
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide has a molecular weight of 430.53 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide is sourced from PubChem (CID 42383402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).