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

C19H20F2N4O2 — CID 155924626

IUPAC(7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
SMILESN[C@@H](CCCCCC(=O)c1ncco1)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C19H20F2N4O2/c20-12-6-7-14(21)13(10-12)16-11-24-18(25-16)15(22)4-2-1-3-5-17(26)19-23-8-9-27-19/h6-11,15H,1-5,22H2,(H,24,25)/t15-/m0/s1
InChIKeyLRKAMPDDLSPWBG-HNNXBMFYSA-N
MW374.39 g/mol
LogP4.18
Rot. Bonds9

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

(7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one (PubChem CID 155924626) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is (7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name(7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
PubChem CID155924626
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name(7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
SMILESN[C@@H](CCCCCC(=O)c1ncco1)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C19H20F2N4O2/c20-12-6-7-14(21)13(10-12)16-11-24-18(25-16)15(22)4-2-1-3-5-17(26)19-23-8-9-27-19/h6-11,15H,1-5,22H2,(H,24,25)/t15-/m0/s1
InChIKeyLRKAMPDDLSPWBG-HNNXBMFYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of (7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one (CID 155924626) is (7S)-7-amino-7-[5-(2,5-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-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for (7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one is N[C@@H](CCCCCC(=O)c1ncco1)c1ncc(-c2cc(F)ccc2F)[nH]1.
What is the InChIKey of (7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is LRKAMPDDLSPWBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-12-6-7-14(21)13(10-12)16-11-24-18(25-16)15(22)4-2-1-3-5-17(26)19-23-8-9-27-19/h6-11,15H,1-5,22H2,(H,24,25)/t15-/m0/s1.
What are the key properties of (7S)-7-amino-7-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
(7S)-7-amino-7-[5-(2,5-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-(2,5-difluorophenyl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 155924626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).