7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one

C20H17FN2O2 — CID 99817913

IUPAC7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(NCc3ncc(-c4cccc(F)c4)o3)cc21
InChIInChI=1S/C20H17FN2O2/c21-15-5-1-4-14(9-15)19-11-23-20(25-19)12-22-16-8-7-13-3-2-6-18(24)17(13)10-16/h1,4-5,7-11,22H,2-3,6,12H2
InChIKeyLLGRFLITVOFCTG-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.61
Rot. Bonds4

About 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one

7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 99817913) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID99817913
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(NCc3ncc(-c4cccc(F)c4)o3)cc21
InChIInChI=1S/C20H17FN2O2/c21-15-5-1-4-14(9-15)19-11-23-20(25-19)12-22-16-8-7-13-3-2-6-18(24)17(13)10-16/h1,4-5,7-11,22H,2-3,6,12H2
InChIKeyLLGRFLITVOFCTG-UHFFFAOYSA-N
XLogP4.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one (CID 99817913) is 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(NCc3ncc(-c4cccc(F)c4)o3)cc21.
What is the InChIKey of 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LLGRFLITVOFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-15-5-1-4-14(9-15)19-11-23-20(25-19)12-22-16-8-7-13-3-2-6-18(24)17(13)10-16/h1,4-5,7-11,22H,2-3,6,12H2.
What are the key properties of 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one?
7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 336.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methylamino]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 99817913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).