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

C11H13F2N5O — CID 118456855

IUPAC7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
SMILESNc1noc2c(N3CCC(N)C3)nc(C(F)F)cc12
InChIInChI=1S/C11H13F2N5O/c12-9(13)7-3-6-8(19-17-10(6)15)11(16-7)18-2-1-5(14)4-18/h3,5,9H,1-2,4,14H2,(H2,15,17)
InChIKeyJVZGVVIWAMWRFF-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.28
Rot. Bonds2

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

7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine (PubChem CID 118456855) has the molecular formula C11H13F2N5O and a molecular weight of 269.25 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
PubChem CID118456855
Molecular FormulaC11H13F2N5O
Molecular Weight269.25 g/mol
Exact Mass269.11
IUPAC Name7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine
SMILESNc1noc2c(N3CCC(N)C3)nc(C(F)F)cc12
InChIInChI=1S/C11H13F2N5O/c12-9(13)7-3-6-8(19-17-10(6)15)11(16-7)18-2-1-5(14)4-18/h3,5,9H,1-2,4,14H2,(H2,15,17)
InChIKeyJVZGVVIWAMWRFF-UHFFFAOYSA-N
XLogP1.28
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine (CID 118456855) is 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine is Nc1noc2c(N3CCC(N)C3)nc(C(F)F)cc12.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine?
The InChIKey is JVZGVVIWAMWRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c12-9(13)7-3-6-8(19-17-10(6)15)11(16-7)18-2-1-5(14)4-18/h3,5,9H,1-2,4,14H2,(H2,15,17).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine?
7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine has a molecular weight of 269.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-5-(difluoromethyl)-[1,2]oxazolo[5,4-c]pyridin-3-amine is sourced from PubChem (CID 118456855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).