1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide

C25H32FN3O4 — CID 147015573

IUPAC1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide
SMILESO=C(CCCCCCN1CC(C(=O)N[C@H]2CCC[C@@H]2O)C1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C25H32FN3O4/c26-19-11-9-17(10-12-19)24-14-21(28-33-24)23(31)7-3-1-2-4-13-29-15-18(16-29)25(32)27-20-6-5-8-22(20)30/h9-12,14,18,20,22,30H,1-8,13,15-16H2,(H,27,32)/t20-,22-/m0/s1
InChIKeyAURWFISOWQKCFJ-UNMCSNQZSA-N
MW457.55 g/mol
LogP3.58
Rot. Bonds11

About 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide

1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide (PubChem CID 147015573) has the molecular formula C25H32FN3O4 and a molecular weight of 457.55 g/mol. Its IUPAC name is 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide
PubChem CID147015573
Molecular FormulaC25H32FN3O4
Molecular Weight457.55 g/mol
Exact Mass457.24
IUPAC Name1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide
SMILESO=C(CCCCCCN1CC(C(=O)N[C@H]2CCC[C@@H]2O)C1)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C25H32FN3O4/c26-19-11-9-17(10-12-19)24-14-21(28-33-24)23(31)7-3-1-2-4-13-29-15-18(16-29)25(32)27-20-6-5-8-22(20)30/h9-12,14,18,20,22,30H,1-8,13,15-16H2,(H,27,32)/t20-,22-/m0/s1
InChIKeyAURWFISOWQKCFJ-UNMCSNQZSA-N
XLogP3.58
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.58
H-Bond Donors ≤ 52
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 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide?
The IUPAC name of 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide (CID 147015573) is 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide is O=C(CCCCCCN1CC(C(=O)N[C@H]2CCC[C@@H]2O)C1)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide?
The InChIKey is AURWFISOWQKCFJ-UNMCSNQZSA-N. The full InChI is InChI=1S/C25H32FN3O4/c26-19-11-9-17(10-12-19)24-14-21(28-33-24)23(31)7-3-1-2-4-13-29-15-18(16-29)25(32)27-20-6-5-8-22(20)30/h9-12,14,18,20,22,30H,1-8,13,15-16H2,(H,27,32)/t20-,22-/m0/s1.
What are the key properties of 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide?
1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 3.58, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-7-oxoheptyl]-N-[(1S,2S)-2-hydroxycyclopentyl]azetidine-3-carboxamide is sourced from PubChem (CID 147015573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).