5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine

C10H11F2N3O — CID 144947290

IUPAC5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine
SMILESCC(C)c1nc(C(F)F)cc2c(N)noc12
InChIInChI=1S/C10H11F2N3O/c1-4(2)7-8-5(10(13)15-16-8)3-6(14-7)9(11)12/h3-4,9H,1-2H3,(H2,13,15)
InChIKeyXLGKVGWTDOUWDO-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.87
Rot. Bonds2

About 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine

5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine (PubChem CID 144947290) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine
PubChem CID144947290
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine
SMILESCC(C)c1nc(C(F)F)cc2c(N)noc12
InChIInChI=1S/C10H11F2N3O/c1-4(2)7-8-5(10(13)15-16-8)3-6(14-7)9(11)12/h3-4,9H,1-2H3,(H2,13,15)
InChIKeyXLGKVGWTDOUWDO-UHFFFAOYSA-N
XLogP2.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine (CID 144947290) is 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine is CC(C)c1nc(C(F)F)cc2c(N)noc12.
What is the InChIKey of 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The InChIKey is XLGKVGWTDOUWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-4(2)7-8-5(10(13)15-16-8)3-6(14-7)9(11)12/h3-4,9H,1-2H3,(H2,13,15).
What are the key properties of 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine?
5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine has a molecular weight of 227.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-7-propan-2-yl-[1,2]oxazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 144947290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).