2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

C20H24F3N3O3 — CID 171907261

IUPAC2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1coc([C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C(C)C)n1
InChIInChI=1S/C20H24F3N3O3/c1-11(2)17(19-25-15(10-29-19)18(28)24-12(3)4)26-16(27)9-13-6-5-7-14(8-13)20(21,22)23/h5-8,10-12,17H,9H2,1-4H3,(H,24,28)(H,26,27)/t17-/m0/s1
InChIKeyHTMINXNPLDKBEZ-KRWDZBQOSA-N
MW411.42 g/mol
LogP3.89
Rot. Bonds7

About 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 171907261) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID171907261
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1coc([C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C(C)C)n1
InChIInChI=1S/C20H24F3N3O3/c1-11(2)17(19-25-15(10-29-19)18(28)24-12(3)4)26-16(27)9-13-6-5-7-14(8-13)20(21,22)23/h5-8,10-12,17H,9H2,1-4H3,(H,24,28)(H,26,27)/t17-/m0/s1
InChIKeyHTMINXNPLDKBEZ-KRWDZBQOSA-N
XLogP3.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (CID 171907261) is 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)NC(=O)c1coc([C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C(C)C)n1.
What is the InChIKey of 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is HTMINXNPLDKBEZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-11(2)17(19-25-15(10-29-19)18(28)24-12(3)4)26-16(27)9-13-6-5-7-14(8-13)20(21,22)23/h5-8,10-12,17H,9H2,1-4H3,(H,24,28)(H,26,27)/t17-/m0/s1.
What are the key properties of 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-methyl-1-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171907261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).