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

C19H21FN4O2 — CID 146317418

IUPAC(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
SMILESN[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C19H21FN4O2/c20-14-7-5-4-6-13(14)17-12-22-19(23-17)15(21)8-2-1-3-9-18(25)16-10-11-26-24-16/h4-7,10-12,15H,1-3,8-9,21H2,(H,22,23)/t15-/m0/s1
InChIKeyNRXMHGVXTYHHEY-HNNXBMFYSA-N
MW356.40 g/mol
LogP4.04
Rot. Bonds9

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

(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (PubChem CID 146317418) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is (7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.

Molecular Properties

Compound Name(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
PubChem CID146317418
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
SMILESN[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C19H21FN4O2/c20-14-7-5-4-6-13(14)17-12-22-19(23-17)15(21)8-2-1-3-9-18(25)16-10-11-26-24-16/h4-7,10-12,15H,1-3,8-9,21H2,(H,22,23)/t15-/m0/s1
InChIKeyNRXMHGVXTYHHEY-HNNXBMFYSA-N
XLogP4.04
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The IUPAC name of (7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (CID 146317418) is (7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.
What is the SMILES notation for (7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The canonical SMILES for (7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is N[C@@H](CCCCCC(=O)c1ccon1)c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of (7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The InChIKey is NRXMHGVXTYHHEY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-14-7-5-4-6-13(14)17-12-22-19(23-17)15(21)8-2-1-3-9-18(25)16-10-11-26-24-16/h4-7,10-12,15H,1-3,8-9,21H2,(H,22,23)/t15-/m0/s1.
What are the key properties of (7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
(7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one has a molecular weight of 356.40 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-amino-7-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is sourced from PubChem (CID 146317418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).