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

C21H26N4O2S — CID 112820353

IUPACN-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2nc(-c3ccc(C(C)C)cc3C(C)C)cs2)n1
InChIInChI=1S/C21H26N4O2S/c1-12(2)15-6-7-16(17(10-15)13(3)4)18-11-28-21(23-18)24-19(26)8-9-20-22-14(5)25-27-20/h6-7,10-13H,8-9H2,1-5H3,(H,23,24,26)
InChIKeyBJVZOWBUEHGBRX-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.32
Rot. Bonds7

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

N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 112820353) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID112820353
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2nc(-c3ccc(C(C)C)cc3C(C)C)cs2)n1
InChIInChI=1S/C21H26N4O2S/c1-12(2)15-6-7-16(17(10-15)13(3)4)18-11-28-21(23-18)24-19(26)8-9-20-22-14(5)25-27-20/h6-7,10-13H,8-9H2,1-5H3,(H,23,24,26)
InChIKeyBJVZOWBUEHGBRX-UHFFFAOYSA-N
XLogP5.32
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39033570
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26051883
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 38430142
ethyl 2-[2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18209830
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 37002957
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26051072
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 43000681
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526971
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19206344

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 112820353) is N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)Nc2nc(-c3ccc(C(C)C)cc3C(C)C)cs2)n1.
What is the InChIKey of N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BJVZOWBUEHGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-12(2)15-6-7-16(17(10-15)13(3)4)18-11-28-21(23-18)24-19(26)8-9-20-22-14(5)25-27-20/h6-7,10-13H,8-9H2,1-5H3,(H,23,24,26).
What are the key properties of N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 398.53 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 112820353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).