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

C19H20F2N4O2 — CID 155925144

IUPAC(7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
SMILESN[C@@H](CCCCCC(=O)c1ncco1)c1ncc(-c2cccc(F)c2F)[nH]1
InChIInChI=1S/C19H20F2N4O2/c20-13-6-4-5-12(17(13)21)15-11-24-18(25-15)14(22)7-2-1-3-8-16(26)19-23-9-10-27-19/h4-6,9-11,14H,1-3,7-8,22H2,(H,24,25)/t14-/m0/s1
InChIKeyWXWRTOXIZIIUDR-AWEZNQCLSA-N
MW374.39 g/mol
LogP4.18
Rot. Bonds9

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

(7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one (PubChem CID 155925144) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name(7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
PubChem CID155925144
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name(7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
SMILESN[C@@H](CCCCCC(=O)c1ncco1)c1ncc(-c2cccc(F)c2F)[nH]1
InChIInChI=1S/C19H20F2N4O2/c20-13-6-4-5-12(17(13)21)15-11-24-18(25-15)14(22)7-2-1-3-8-16(26)19-23-9-10-27-19/h4-6,9-11,14H,1-3,7-8,22H2,(H,24,25)/t14-/m0/s1
InChIKeyWXWRTOXIZIIUDR-AWEZNQCLSA-N
XLogP4.18
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one (CID 155925144) is (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one is N[C@@H](CCCCCC(=O)c1ncco1)c1ncc(-c2cccc(F)c2F)[nH]1.
What is the InChIKey of (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is WXWRTOXIZIIUDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-13-6-4-5-12(17(13)21)15-11-24-18(25-15)14(22)7-2-1-3-8-16(26)19-23-9-10-27-19/h4-6,9-11,14H,1-3,7-8,22H2,(H,24,25)/t14-/m0/s1.
What are the key properties of (7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
(7S)-7-amino-7-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 374.39 g/mol, XLogP of 4.18, 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-(2,3-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 155925144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).