(1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol

C11H11F3N4O2 — CID 41037815

IUPAC(1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESC=Cn1ccnc1[C@@](O)(c1c(C)noc1N)C(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c1-3-18-5-4-16-9(18)10(19,11(12,13)14)7-6(2)17-20-8(7)15/h3-5,19H,1,15H2,2H3/t10-/m0/s1
InChIKeyCVFFRPBCQJNAGP-JTQLQIEISA-N
MW288.23 g/mol
LogP1.66
Rot. Bonds3

About (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol

(1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol (PubChem CID 41037815) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol
PubChem CID41037815
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name(1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESC=Cn1ccnc1[C@@](O)(c1c(C)noc1N)C(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c1-3-18-5-4-16-9(18)10(19,11(12,13)14)7-6(2)17-20-8(7)15/h3-5,19H,1,15H2,2H3/t10-/m0/s1
InChIKeyCVFFRPBCQJNAGP-JTQLQIEISA-N
XLogP1.66
TPSA90.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol (CID 41037815) is (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol is C=Cn1ccnc1[C@@](O)(c1c(C)noc1N)C(F)(F)F.
What is the InChIKey of (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is CVFFRPBCQJNAGP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-3-18-5-4-16-9(18)10(19,11(12,13)14)7-6(2)17-20-8(7)15/h3-5,19H,1,15H2,2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol?
(1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 288.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-amino-3-methyl-1,2-oxazol-4-yl)-1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 41037815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).