(5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole

C18H16F3NO3S — CID 143608169

IUPAC(5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCO[C@]1(C(F)(F)F)ON=C(c2ccccc2)C1[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H16F3NO3S/c1-12-8-10-14(11-9-12)26(23)16-15(13-6-4-3-5-7-13)22-25-17(16,24-2)18(19,20)21/h3-11,16H,1-2H3/t16?,17-,26-/m0/s1
InChIKeyDRBJRJAQURMECC-AVFFZSMJSA-N
MW383.39 g/mol
LogP3.81
Rot. Bonds4

About (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole

(5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 143608169) has the molecular formula C18H16F3NO3S and a molecular weight of 383.39 g/mol. Its IUPAC name is (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID143608169
Molecular FormulaC18H16F3NO3S
Molecular Weight383.39 g/mol
Exact Mass383.08
IUPAC Name(5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCO[C@]1(C(F)(F)F)ON=C(c2ccccc2)C1[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H16F3NO3S/c1-12-8-10-14(11-9-12)26(23)16-15(13-6-4-3-5-7-13)22-25-17(16,24-2)18(19,20)21/h3-11,16H,1-2H3/t16?,17-,26-/m0/s1
InChIKeyDRBJRJAQURMECC-AVFFZSMJSA-N
XLogP3.81
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 143608169) is (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole is CO[C@]1(C(F)(F)F)ON=C(c2ccccc2)C1[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is DRBJRJAQURMECC-AVFFZSMJSA-N. The full InChI is InChI=1S/C18H16F3NO3S/c1-12-8-10-14(11-9-12)26(23)16-15(13-6-4-3-5-7-13)22-25-17(16,24-2)18(19,20)21/h3-11,16H,1-2H3/t16?,17-,26-/m0/s1.
What are the key properties of (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
(5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 383.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 143608169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).