N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C19H22N4O2S — CID 131911467

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCc1csc(CNC(=O)CCCc2nc(-c3ccccc3C)no2)n1
InChIInChI=1S/C19H22N4O2S/c1-3-14-12-26-18(21-14)11-20-16(24)9-6-10-17-22-19(23-25-17)15-8-5-4-7-13(15)2/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,20,24)
InChIKeyMIKDUCDCRZMZEF-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.70
Rot. Bonds8

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 131911467) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID131911467
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCCc1csc(CNC(=O)CCCc2nc(-c3ccccc3C)no2)n1
InChIInChI=1S/C19H22N4O2S/c1-3-14-12-26-18(21-14)11-20-16(24)9-6-10-17-22-19(23-25-17)15-8-5-4-7-13(15)2/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,20,24)
InChIKeyMIKDUCDCRZMZEF-UHFFFAOYSA-N
XLogP3.70
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 50984487
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 17101262
5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95339767
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
3-(2,6-dichlorophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100604654
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2991422
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
CID 2992016
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 50983094
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 3747520

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 131911467) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is CCc1csc(CNC(=O)CCCc2nc(-c3ccccc3C)no2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is MIKDUCDCRZMZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-14-12-26-18(21-14)11-20-16(24)9-6-10-17-22-19(23-25-17)15-8-5-4-7-13(15)2/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 370.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 131911467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).