6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one

C10H10F2N2O2 — CID 165443719

IUPAC6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one
SMILESCCCc1noc2[nH]c(C(F)F)cc(=O)c12
InChIInChI=1S/C10H10F2N2O2/c1-2-3-5-8-7(15)4-6(9(11)12)13-10(8)16-14-5/h4,9H,2-3H2,1H3,(H,13,15)
InChIKeyXWWDYIMKCGMIPL-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.41
Rot. Bonds3

About 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one

6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one (PubChem CID 165443719) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one
PubChem CID165443719
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one
SMILESCCCc1noc2[nH]c(C(F)F)cc(=O)c12
InChIInChI=1S/C10H10F2N2O2/c1-2-3-5-8-7(15)4-6(9(11)12)13-10(8)16-14-5/h4,9H,2-3H2,1H3,(H,13,15)
InChIKeyXWWDYIMKCGMIPL-UHFFFAOYSA-N
XLogP2.41
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one (CID 165443719) is 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one is CCCc1noc2[nH]c(C(F)F)cc(=O)c12.
What is the InChIKey of 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one?
The InChIKey is XWWDYIMKCGMIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c1-2-3-5-8-7(15)4-6(9(11)12)13-10(8)16-14-5/h4,9H,2-3H2,1H3,(H,13,15).
What are the key properties of 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one?
6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one has a molecular weight of 228.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-propyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 165443719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).