N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C21H19FN4O2S — CID 46542421

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC(c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C21H19FN4O2S/c1-13-16(24-21(28-13)17-4-3-11-29-17)12-18(27)25-19(20-23-9-10-26(20)2)14-5-7-15(22)8-6-14/h3-11,19H,12H2,1-2H3,(H,25,27)
InChIKeyMJTZZYNSCVWMNP-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.03
Rot. Bonds6

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 46542421) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID46542421
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC(c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C21H19FN4O2S/c1-13-16(24-21(28-13)17-4-3-11-29-17)12-18(27)25-19(20-23-9-10-26(20)2)14-5-7-15(22)8-6-14/h3-11,19H,12H2,1-2H3,(H,25,27)
InChIKeyMJTZZYNSCVWMNP-UHFFFAOYSA-N
XLogP4.03
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 46542421) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)NC(c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is MJTZZYNSCVWMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-13-16(24-21(28-13)17-4-3-11-29-17)12-18(27)25-19(20-23-9-10-26(20)2)14-5-7-15(22)8-6-14/h3-11,19H,12H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 46542421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).