5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile

C17H19F3N4O — CID 39835724

IUPAC5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(NC[C@@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1
InChIInChI=1S/C17H19F3N4O/c1-4-15-23-13(9-21)16(25-15)22-10-14(24(2)3)11-5-7-12(8-6-11)17(18,19)20/h5-8,14,22H,4,10H2,1-3H3/t14-/m0/s1
InChIKeyYWBDWUOXXMRSOS-AWEZNQCLSA-N
MW352.36 g/mol
LogP3.84
Rot. Bonds6

About 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile

5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile (PubChem CID 39835724) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile
PubChem CID39835724
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile
SMILESCCc1nc(C#N)c(NC[C@@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1
InChIInChI=1S/C17H19F3N4O/c1-4-15-23-13(9-21)16(25-15)22-10-14(24(2)3)11-5-7-12(8-6-11)17(18,19)20/h5-8,14,22H,4,10H2,1-3H3/t14-/m0/s1
InChIKeyYWBDWUOXXMRSOS-AWEZNQCLSA-N
XLogP3.84
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile (CID 39835724) is 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile is CCc1nc(C#N)c(NC[C@@H](c2ccc(C(F)(F)F)cc2)N(C)C)o1.
What is the InChIKey of 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile?
The InChIKey is YWBDWUOXXMRSOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-4-15-23-13(9-21)16(25-15)22-10-14(24(2)3)11-5-7-12(8-6-11)17(18,19)20/h5-8,14,22H,4,10H2,1-3H3/t14-/m0/s1.
What are the key properties of 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile?
5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile has a molecular weight of 352.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-ethyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 39835724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).