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

C15H9ClF4N2O — CID 58148096

IUPAC2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole
SMILESCC(F)(c1ccc2oc(-c3ccncc3Cl)nc2c1)C(F)(F)F
InChIInChI=1S/C15H9ClF4N2O/c1-14(17,15(18,19)20)8-2-3-12-11(6-8)22-13(23-12)9-4-5-21-7-10(9)16/h2-7H,1H3
InChIKeyYMFPBBMDTMAFED-UHFFFAOYSA-N
MW344.70 g/mol
LogP5.29
Rot. Bonds2

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

2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole (PubChem CID 58148096) has the molecular formula C15H9ClF4N2O and a molecular weight of 344.70 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole
PubChem CID58148096
Molecular FormulaC15H9ClF4N2O
Molecular Weight344.70 g/mol
Exact Mass344.03
IUPAC Name2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole
SMILESCC(F)(c1ccc2oc(-c3ccncc3Cl)nc2c1)C(F)(F)F
InChIInChI=1S/C15H9ClF4N2O/c1-14(17,15(18,19)20)8-2-3-12-11(6-8)22-13(23-12)9-4-5-21-7-10(9)16/h2-7H,1H3
InChIKeyYMFPBBMDTMAFED-UHFFFAOYSA-N
XLogP5.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.70
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole (CID 58148096) is 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole is CC(F)(c1ccc2oc(-c3ccncc3Cl)nc2c1)C(F)(F)F.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole?
The InChIKey is YMFPBBMDTMAFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N2O/c1-14(17,15(18,19)20)8-2-3-12-11(6-8)22-13(23-12)9-4-5-21-7-10(9)16/h2-7H,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole?
2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole has a molecular weight of 344.70 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-5-(1,1,1,2-tetrafluoropropan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 58148096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).