4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole

C12H11F3N2O — CID 20580531

IUPAC4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
SMILESCCCc1coc(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N2O/c1-2-3-8-7-18-11(17-8)9-6-16-5-4-10(9)12(13,14)15/h4-7H,2-3H2,1H3
InChIKeyJCRJIUGQFIFWOV-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.71
Rot. Bonds3

About 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole

4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole (PubChem CID 20580531) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
PubChem CID20580531
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
SMILESCCCc1coc(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N2O/c1-2-3-8-7-18-11(17-8)9-6-16-5-4-10(9)12(13,14)15/h4-7H,2-3H2,1H3
InChIKeyJCRJIUGQFIFWOV-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288378
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
2-[2-(trifluoromethyl)phenyl]-4-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxymethyl]-1,3-oxazole
CID 158241679
N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709064
3-heptyl-4-(trifluoromethyl)pyridine
CID 130384281
N-ethyl-1-[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708742
[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708695
N-ethyl-1-[2-[4-(trifluoromethyl)-3-pyridinyl]phenyl]ethanamine
CID 102708716
3-sulfanyl-3-[5-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 57045346
2-methyl-6-propyl-3-(trifluoromethyl)pyridine
CID 145086517
3-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,2,4-oxadiazole-5-thione
CID 139919806
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole (CID 20580531) is 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole is CCCc1coc(-c2cnccc2C(F)(F)F)n1.
What is the InChIKey of 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The InChIKey is JCRJIUGQFIFWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-3-8-7-18-11(17-8)9-6-16-5-4-10(9)12(13,14)15/h4-7H,2-3H2,1H3.
What are the key properties of 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole has a molecular weight of 256.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 20580531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).