(5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

C16H13F3N2O3 — CID 58126014

IUPAC(5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C16H13F3N2O3/c1-10-2-5-13(9-20-10)22-15-8-14(24-21-15)11-3-6-12(7-4-11)23-16(17,18)19/h2-7,9,14H,8H2,1H3/t14-/m1/s1
InChIKeyQRCQPGZSCLBZBU-CQSZACIVSA-N
MW338.29 g/mol
LogP4.14
Rot. Bonds3

About (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

(5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 58126014) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID58126014
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name(5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C16H13F3N2O3/c1-10-2-5-13(9-20-10)22-15-8-14(24-21-15)11-3-6-12(7-4-11)23-16(17,18)19/h2-7,9,14H,8H2,1H3/t14-/m1/s1
InChIKeyQRCQPGZSCLBZBU-CQSZACIVSA-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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Related Compounds

Pilavapadin
CID 118419773
3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(4-trifluoromethyl-phenyl)-pyridine
CID 44372121
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
3-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-pyridine
CID 10636647
Diethyl-(2-{4-[5-(4-methoxy-phenyl)-pyridin-2-ylethynyl]-phenoxy}-ethyl)-amine
CID 59835766
US10155760, Example 144
CID 118419975

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (CID 58126014) is (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is Cc1ccc(OC2=NO[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cn1.
What is the InChIKey of (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is QRCQPGZSCLBZBU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-10-2-5-13(9-20-10)22-15-8-14(24-21-15)11-3-6-12(7-4-11)23-16(17,18)19/h2-7,9,14H,8H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
(5R)-3-[(6-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 (5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58126014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).