7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

C14H9F3N2O — CID 57432055

IUPAC7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccnc2oc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H9F3N2O/c1-8-6-7-18-13-11(8)19-12(20-13)9-2-4-10(5-3-9)14(15,16)17/h2-7H,1H3
InChIKeyZXBZVCPRYUIPSG-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.22
Rot. Bonds1

About 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 57432055) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID57432055
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccnc2oc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C14H9F3N2O/c1-8-6-7-18-13-11(8)19-12(20-13)9-2-4-10(5-3-9)14(15,16)17/h2-7H,1H3
InChIKeyZXBZVCPRYUIPSG-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 57432055) is 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is Cc1ccnc2oc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ZXBZVCPRYUIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c1-8-6-7-18-13-11(8)19-12(20-13)9-2-4-10(5-3-9)14(15,16)17/h2-7H,1H3.
What are the key properties of 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 278.23 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 57432055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).