(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine

C10H9F3N2O — CID 59323769

IUPAC(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2cc(F)c(F)c(F)c2)COC(N)=N1
InChIInChI=1S/C10H9F3N2O/c1-10(4-16-9(14)15-10)5-2-6(11)8(13)7(12)3-5/h2-3H,4H2,1H3,(H2,14,15)/t10-/m1/s1
InChIKeyBKWLTLWYHNRYMM-SNVBAGLBSA-N
MW230.19 g/mol
LogP1.66
Rot. Bonds1

About (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine

(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine (PubChem CID 59323769) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
PubChem CID59323769
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
SMILESC[C@]1(c2cc(F)c(F)c(F)c2)COC(N)=N1
InChIInChI=1S/C10H9F3N2O/c1-10(4-16-9(14)15-10)5-2-6(11)8(13)7(12)3-5/h2-3H,4H2,1H3,(H2,14,15)/t10-/m1/s1
InChIKeyBKWLTLWYHNRYMM-SNVBAGLBSA-N
XLogP1.66
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine (CID 59323769) is (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine is C[C@]1(c2cc(F)c(F)c(F)c2)COC(N)=N1.
What is the InChIKey of (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is BKWLTLWYHNRYMM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-10(4-16-9(14)15-10)5-2-6(11)8(13)7(12)3-5/h2-3H,4H2,1H3,(H2,14,15)/t10-/m1/s1.
What are the key properties of (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine?
(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 230.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).