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

C20H24N4O3S — CID 25377787

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)NCc3nc(C)c(C)s3)o2)cc1
InChIInChI=1S/C20H24N4O3S/c1-13-14(2)28-20(22-13)12-21-17(25)9-11-19-24-23-18(27-19)10-6-15-4-7-16(26-3)8-5-15/h4-5,7-8H,6,9-12H2,1-3H3,(H,21,25)
InChIKeyRHQKDKIMHVINRL-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.19
Rot. Bonds9

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 25377787) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID25377787
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)NCc3nc(C)c(C)s3)o2)cc1
InChIInChI=1S/C20H24N4O3S/c1-13-14(2)28-20(22-13)12-21-17(25)9-11-19-24-23-18(27-19)10-6-15-4-7-16(26-3)8-5-15/h4-5,7-8H,6,9-12H2,1-3H3,(H,21,25)
InChIKeyRHQKDKIMHVINRL-UHFFFAOYSA-N
XLogP3.19
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25274560
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110739127
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42458281
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42288429
3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737936
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121122601
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395294

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 25377787) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is COc1ccc(CCc2nnc(CCC(=O)NCc3nc(C)c(C)s3)o2)cc1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is RHQKDKIMHVINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-13-14(2)28-20(22-13)12-21-17(25)9-11-19-24-23-18(27-19)10-6-15-4-7-16(26-3)8-5-15/h4-5,7-8H,6,9-12H2,1-3H3,(H,21,25).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 400.50 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 25377787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).