(7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one

C19H20FN3O3 — CID 155925380

IUPAC(7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
SMILESN[C@@H](CCCCCC(=O)c1ccon1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C19H20FN3O3/c20-14-7-5-4-6-13(14)19-12-17(23-26-19)15(21)8-2-1-3-9-18(24)16-10-11-25-22-16/h4-7,10-12,15H,1-3,8-9,21H2/t15-/m0/s1
InChIKeyDJJICDKYOCVBNI-HNNXBMFYSA-N
MW357.39 g/mol
LogP4.30
Rot. Bonds9

About (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one

(7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (PubChem CID 155925380) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.

Molecular Properties

Compound Name(7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
PubChem CID155925380
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name(7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
SMILESN[C@@H](CCCCCC(=O)c1ccon1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C19H20FN3O3/c20-14-7-5-4-6-13(14)19-12-17(23-26-19)15(21)8-2-1-3-9-18(24)16-10-11-25-22-16/h4-7,10-12,15H,1-3,8-9,21H2/t15-/m0/s1
InChIKeyDJJICDKYOCVBNI-HNNXBMFYSA-N
XLogP4.30
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The IUPAC name of (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (CID 155925380) is (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.
What is the SMILES notation for (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The canonical SMILES for (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is N[C@@H](CCCCCC(=O)c1ccon1)c1cc(-c2ccccc2F)on1.
What is the InChIKey of (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The InChIKey is DJJICDKYOCVBNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-14-7-5-4-6-13(14)19-12-17(23-26-19)15(21)8-2-1-3-9-18(24)16-10-11-25-22-16/h4-7,10-12,15H,1-3,8-9,21H2/t15-/m0/s1.
What are the key properties of (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
(7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one has a molecular weight of 357.39 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-amino-7-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is sourced from PubChem (CID 155925380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).