2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide

C16H18F3N3O2 — CID 3841739

IUPAC2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)NCc2ccccc2C(F)(F)F)co1
InChIInChI=1S/C16H18F3N3O2/c1-9(2)13(20)15-22-12(8-24-15)14(23)21-7-10-5-3-4-6-11(10)16(17,18)19/h3-6,8-9,13H,7,20H2,1-2H3,(H,21,23)
InChIKeyNEHOHVZLQSLNNP-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.28
Rot. Bonds5

About 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3841739) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID3841739
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)NCc2ccccc2C(F)(F)F)co1
InChIInChI=1S/C16H18F3N3O2/c1-9(2)13(20)15-22-12(8-24-15)14(23)21-7-10-5-3-4-6-11(10)16(17,18)19/h3-6,8-9,13H,7,20H2,1-2H3,(H,21,23)
InChIKeyNEHOHVZLQSLNNP-UHFFFAOYSA-N
XLogP3.28
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164
2-(1-amino-2-methylpropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3836320
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208
2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3857442
2-(1-amino-2-hydroxypropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3780465
2-(1-amino-2-methylpropyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3828610
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3801520
2-(3-aminophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3483922
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3421131
2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3807008

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 3841739) is 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is CC(C)C(N)c1nc(C(=O)NCc2ccccc2C(F)(F)F)co1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NEHOHVZLQSLNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-9(2)13(20)15-22-12(8-24-15)14(23)21-7-10-5-3-4-6-11(10)16(17,18)19/h3-6,8-9,13H,7,20H2,1-2H3,(H,21,23).
What are the key properties of 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3841739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).