(5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

C16H13F3N2O3 — CID 58126006

IUPAC(5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1cncc(OC2=NO[C@H](c3ccc(OC(F)(F)F)cc3)C2)c1
InChIInChI=1S/C16H13F3N2O3/c1-10-6-13(9-20-8-10)22-15-7-14(24-21-15)11-2-4-12(5-3-11)23-16(17,18)19/h2-6,8-9,14H,7H2,1H3/t14-/m0/s1
InChIKeyGXXNEWPXQDPHRI-AWEZNQCLSA-N
MW338.29 g/mol
LogP4.14
Rot. Bonds3

About (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

(5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 58126006) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID58126006
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name(5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1cncc(OC2=NO[C@H](c3ccc(OC(F)(F)F)cc3)C2)c1
InChIInChI=1S/C16H13F3N2O3/c1-10-6-13(9-20-8-10)22-15-7-14(24-21-15)11-2-4-12(5-3-11)23-16(17,18)19/h2-6,8-9,14H,7H2,1H3/t14-/m0/s1
InChIKeyGXXNEWPXQDPHRI-AWEZNQCLSA-N
XLogP4.14
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (CID 58126006) is (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is Cc1cncc(OC2=NO[C@H](c3ccc(OC(F)(F)F)cc3)C2)c1.
What is the InChIKey of (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is GXXNEWPXQDPHRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-10-6-13(9-20-8-10)22-15-7-14(24-21-15)11-2-4-12(5-3-11)23-16(17,18)19/h2-6,8-9,14H,7H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 338.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).