4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C23H33F3N4O2 — CID 66792943

IUPAC4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C(C)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNC(C)(C)CN(C)C
InChIInChI=1S/C23H33F3N4O2/c1-14(2)15(3)28-21(31)19-18(12-27-22(4,5)13-30(6)7)20(32-29-19)16-8-10-17(11-9-16)23(24,25)26/h8-11,14-15,27H,12-13H2,1-7H3,(H,28,31)
InChIKeySAZMKYHSELWKHR-UHFFFAOYSA-N
MW454.54 g/mol
LogP4.56
Rot. Bonds9

About 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 66792943) has the molecular formula C23H33F3N4O2 and a molecular weight of 454.54 g/mol. Its IUPAC name is 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID66792943
Molecular FormulaC23H33F3N4O2
Molecular Weight454.54 g/mol
Exact Mass454.26
IUPAC Name4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C(C)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNC(C)(C)CN(C)C
InChIInChI=1S/C23H33F3N4O2/c1-14(2)15(3)28-21(31)19-18(12-27-22(4,5)13-30(6)7)20(32-29-19)16-8-10-17(11-9-16)23(24,25)26/h8-11,14-15,27H,12-13H2,1-7H3,(H,28,31)
InChIKeySAZMKYHSELWKHR-UHFFFAOYSA-N
XLogP4.56
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 66792943) is 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is CC(C)C(C)NC(=O)c1noc(-c2ccc(C(F)(F)F)cc2)c1CNC(C)(C)CN(C)C.
What is the InChIKey of 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SAZMKYHSELWKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N4O2/c1-14(2)15(3)28-21(31)19-18(12-27-22(4,5)13-30(6)7)20(32-29-19)16-8-10-17(11-9-16)23(24,25)26/h8-11,14-15,27H,12-13H2,1-7H3,(H,28,31).
What are the key properties of 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 454.54 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(dimethylamino)-2-methylpropan-2-yl]amino]methyl]-N-(3-methylbutan-2-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66792943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).