7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one

C19H22FN3O2 — CID 153399950

IUPAC7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
SMILESO=C(CCCCCCC1NC=C(c2ccccc2F)N1)c1ccon1
InChIInChI=1S/C19H22FN3O2/c20-15-8-6-5-7-14(15)17-13-21-19(22-17)10-4-2-1-3-9-18(24)16-11-12-25-23-16/h5-8,11-13,19,21-22H,1-4,9-10H2
InChIKeyRKZUNAQITMUAJV-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.85
Rot. Bonds9

About 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one

7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (PubChem CID 153399950) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.

Molecular Properties

Compound Name7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
PubChem CID153399950
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
SMILESO=C(CCCCCCC1NC=C(c2ccccc2F)N1)c1ccon1
InChIInChI=1S/C19H22FN3O2/c20-15-8-6-5-7-14(15)17-13-21-19(22-17)10-4-2-1-3-9-18(24)16-11-12-25-23-16/h5-8,11-13,19,21-22H,1-4,9-10H2
InChIKeyRKZUNAQITMUAJV-UHFFFAOYSA-N
XLogP3.85
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-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 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The IUPAC name of 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one (CID 153399950) is 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one.
What is the SMILES notation for 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The canonical SMILES for 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is O=C(CCCCCCC1NC=C(c2ccccc2F)N1)c1ccon1.
What is the InChIKey of 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
The InChIKey is RKZUNAQITMUAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-8-6-5-7-14(15)17-13-21-19(22-17)10-4-2-1-3-9-18(24)16-11-12-25-23-16/h5-8,11-13,19,21-22H,1-4,9-10H2.
What are the key properties of 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one?
7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one has a molecular weight of 343.40 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-fluorophenyl)-2,3-dihydro-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one is sourced from PubChem (CID 153399950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).