2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole

C15H10F4N2O — CID 58148180

IUPAC2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole
SMILESCC(F)(c1ccc2oc(-c3ccncc3)nc2c1)C(F)(F)F
InChIInChI=1S/C15H10F4N2O/c1-14(16,15(17,18)19)10-2-3-12-11(8-10)21-13(22-12)9-4-6-20-7-5-9/h2-8H,1H3
InChIKeyFMQIFMFVSMIPNA-UHFFFAOYSA-N
MW310.25 g/mol
LogP4.64
Rot. Bonds2

About 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole

2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole (PubChem CID 58148180) has the molecular formula C15H10F4N2O and a molecular weight of 310.25 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole
PubChem CID58148180
Molecular FormulaC15H10F4N2O
Molecular Weight310.25 g/mol
Exact Mass310.07
IUPAC Name2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole
SMILESCC(F)(c1ccc2oc(-c3ccncc3)nc2c1)C(F)(F)F
InChIInChI=1S/C15H10F4N2O/c1-14(16,15(17,18)19)10-2-3-12-11(8-10)21-13(22-12)9-4-6-20-7-5-9/h2-8H,1H3
InChIKeyFMQIFMFVSMIPNA-UHFFFAOYSA-N
XLogP4.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1,2,2,2-pentafluoroethyl)-2-pyridin-4-yl-1,3-benzoxazole
CID 86651046
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
5-tert-butyl-2-(3,5-difluorophenyl)-1,3-benzoxazole
CID 46089033
5-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propan-2-yl]-2-phenyl-1,3-benzoxazole
CID 144938043
2-(4-methylphenyl)-7-[2-[4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 170372832
5-chloro-2-pyridin-4-yl-6-(trifluoromethyl)-1,3-benzoxazole
CID 66880218
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carbaldehyde
CID 145125429
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703
4-(5-tert-butyl-1,3-benzoxazol-2-yl)-N,N-diethylaniline
CID 67333199
2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 52919792
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 66880572

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole (CID 58148180) is 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole is CC(F)(c1ccc2oc(-c3ccncc3)nc2c1)C(F)(F)F.
What is the InChIKey of 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole?
The InChIKey is FMQIFMFVSMIPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O/c1-14(16,15(17,18)19)10-2-3-12-11(8-10)21-13(22-12)9-4-6-20-7-5-9/h2-8H,1H3.
What are the key properties of 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole?
2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole has a molecular weight of 310.25 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 58148180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).