2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

C7H9FN2O — CID 67193755

IUPAC2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESCC1NCCc2oc(F)nc21
InChIInChI=1S/C7H9FN2O/c1-4-6-5(2-3-9-4)11-7(8)10-6/h4,9H,2-3H2,1H3
InChIKeyMPGVYTAEWDQBJC-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.02
Rot. Bonds

About 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 67193755) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
PubChem CID67193755
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESCC1NCCc2oc(F)nc21
InChIInChI=1S/C7H9FN2O/c1-4-6-5(2-3-9-4)11-7(8)10-6/h4,9H,2-3H2,1H3
InChIKeyMPGVYTAEWDQBJC-UHFFFAOYSA-N
XLogP1.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (CID 67193755) is 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is CC1NCCc2oc(F)nc21.
What is the InChIKey of 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is MPGVYTAEWDQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4-6-5(2-3-9-4)11-7(8)10-6/h4,9H,2-3H2,1H3.
What are the key properties of 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 156.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 67193755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).