2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide

C20H20N4O2S — CID 108729419

IUPAC2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
SMILESCc1cc(C)c2c(CC(=O)NCCc3[nH]cnc3-c3cccs3)noc2c1
InChIInChI=1S/C20H20N4O2S/c1-12-8-13(2)19-15(24-26-16(19)9-12)10-18(25)21-6-5-14-20(23-11-22-14)17-4-3-7-27-17/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyUOLQWCLOIOWVIT-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.80
Rot. Bonds6

About 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide

2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 108729419) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
PubChem CID108729419
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
SMILESCc1cc(C)c2c(CC(=O)NCCc3[nH]cnc3-c3cccs3)noc2c1
InChIInChI=1S/C20H20N4O2S/c1-12-8-13(2)19-15(24-26-16(19)9-12)10-18(25)21-6-5-14-20(23-11-22-14)17-4-3-7-27-17/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyUOLQWCLOIOWVIT-UHFFFAOYSA-N
XLogP3.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide 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

4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
CID 108729411
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
CID 108729293
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729363
2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108753044
N-[3-(dimethylamino)propyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794339
3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753078
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108811342

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide (CID 108729419) is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide is Cc1cc(C)c2c(CC(=O)NCCc3[nH]cnc3-c3cccs3)noc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is UOLQWCLOIOWVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-8-13(2)19-15(24-26-16(19)9-12)10-18(25)21-6-5-14-20(23-11-22-14)17-4-3-7-27-17/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide?
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 108729419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).