(4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C16H13F3N2O — CID 154729680

IUPAC(4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccnc(C2=N[C@H](Cc3ccccc3)CO2)c1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)12-6-7-20-14(9-12)15-21-13(10-22-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m1/s1
InChIKeyXRYUZAIXSTXRQH-CYBMUJFWSA-N
MW306.29 g/mol
LogP3.49
Rot. Bonds3

About (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 154729680) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID154729680
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name(4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccnc(C2=N[C@H](Cc3ccccc3)CO2)c1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)12-6-7-20-14(9-12)15-21-13(10-22-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m1/s1
InChIKeyXRYUZAIXSTXRQH-CYBMUJFWSA-N
XLogP3.49
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
4-benzyl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole
CID 20853031
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
(4R)-4-benzyl-2-(5-bromo-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 162393983
(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole
CID 100967036
[4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115062079
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11049225
4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole
CID 135070410
(4R)-4-benzyl-2-(5,6-dichloro-3-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 46929408
(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 25010932
N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
CID 102499049
(4S)-4-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323625

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 154729680) is (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccnc(C2=N[C@H](Cc3ccccc3)CO2)c1.
What is the InChIKey of (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XRYUZAIXSTXRQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)12-6-7-20-14(9-12)15-21-13(10-22-15)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2/t13-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 306.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154729680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).