2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H23F3N4O3 — CID 42769264

IUPAC2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)C(=O)Nc2ccccc2C(F)(F)F)no1
InChIInChI=1S/C19H23F3N4O3/c1-12(2)8-9-26(11-17(27)24-16-10-13(3)29-25-16)18(28)23-15-7-5-4-6-14(15)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,28)(H,24,25,27)
InChIKeyVMFSVMVJVWVJJN-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.52
Rot. Bonds7

About 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42769264) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42769264
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC Name2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)C(=O)Nc2ccccc2C(F)(F)F)no1
InChIInChI=1S/C19H23F3N4O3/c1-12(2)8-9-26(11-17(27)24-16-10-13(3)29-25-16)18(28)23-15-7-5-4-6-14(15)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,28)(H,24,25,27)
InChIKeyVMFSVMVJVWVJJN-UHFFFAOYSA-N
XLogP4.52
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768974
2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769235
2-[3-methylbutyl-[(4-nitrophenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3338382
2-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 4167041
4-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4179187
(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7225268
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3544290
2-[3-methylbutyl-(2-phenylmethoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768973
2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769320
2-[(2-fluorophenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813778
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983363

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42769264) is 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CCC(C)C)C(=O)Nc2ccccc2C(F)(F)F)no1.
What is the InChIKey of 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VMFSVMVJVWVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-12(2)8-9-26(11-17(27)24-16-10-13(3)29-25-16)18(28)23-15-7-5-4-6-14(15)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,28)(H,24,25,27).
What are the key properties of 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 412.41 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).