2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H21FN4O3 — CID 42769235

IUPAC2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CC(C)C)C(=O)Nc2ccccc2F)no1
InChIInChI=1S/C17H21FN4O3/c1-11(2)9-22(10-16(23)20-15-8-12(3)25-21-15)17(24)19-14-7-5-4-6-13(14)18/h4-8,11H,9-10H2,1-3H3,(H,19,24)(H,20,21,23)
InChIKeyMCGBTJUQDDIAFF-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.25
Rot. Bonds6

About 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42769235) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42769235
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CC(C)C)C(=O)Nc2ccccc2F)no1
InChIInChI=1S/C17H21FN4O3/c1-11(2)9-22(10-16(23)20-15-8-12(3)25-21-15)17(24)19-14-7-5-4-6-13(14)18/h4-8,11H,9-10H2,1-3H3,(H,19,24)(H,20,21,23)
InChIKeyMCGBTJUQDDIAFF-UHFFFAOYSA-N
XLogP3.25
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813778
2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769264
2-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813520
3-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)butanamide
CID 42768880
2-[acetyl(2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113158923
2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768892
N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 47263951
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768886
2-[butan-2-yl-[(2-ethylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4099602
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 1056521
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 813521
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42734072

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42769235) is 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CC(C)C)C(=O)Nc2ccccc2F)no1.
What is the InChIKey of 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is MCGBTJUQDDIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-11(2)9-22(10-16(23)20-15-8-12(3)25-21-15)17(24)19-14-7-5-4-6-13(14)18/h4-8,11H,9-10H2,1-3H3,(H,19,24)(H,20,21,23).
What are the key properties of 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 348.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).