1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

C14H16FN3O — CID 103503080

IUPAC1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCc3ccc(F)cc32)on1
InChIInChI=1S/C14H16FN3O/c1-16-8-12-7-13(19-17-12)9-18-5-4-10-2-3-11(15)6-14(10)18/h2-3,6-7,16H,4-5,8-9H2,1H3
InChIKeyVVUJOJLEUDLQFK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.10
Rot. Bonds4

About 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 103503080) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID103503080
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(CN2CCc3ccc(F)cc32)on1
InChIInChI=1S/C14H16FN3O/c1-16-8-12-7-13(19-17-12)9-18-5-4-10-2-3-11(15)6-14(10)18/h2-3,6-7,16H,4-5,8-9H2,1H3
InChIKeyVVUJOJLEUDLQFK-UHFFFAOYSA-N
XLogP2.10
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 103503080) is 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(CN2CCc3ccc(F)cc32)on1.
What is the InChIKey of 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is VVUJOJLEUDLQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-16-8-12-7-13(19-17-12)9-18-5-4-10-2-3-11(15)6-14(10)18/h2-3,6-7,16H,4-5,8-9H2,1H3.
What are the key properties of 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103503080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).