1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one

C20H21NO3 — CID 11278743

IUPAC1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ncc(-c2ccco2)o1
InChIInChI=1S/C20H21NO3/c22-17(20-21-15-19(24-20)18-13-8-14-23-18)12-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-11,13-15H,1-2,4,7,9,12H2
InChIKeyTWQKSZUNMHKBKF-UHFFFAOYSA-N
MW323.39 g/mol
LogP5.31
Rot. Bonds9

About 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one

1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one (PubChem CID 11278743) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
PubChem CID11278743
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ncc(-c2ccco2)o1
InChIInChI=1S/C20H21NO3/c22-17(20-21-15-19(24-20)18-13-8-14-23-18)12-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-11,13-15H,1-2,4,7,9,12H2
InChIKeyTWQKSZUNMHKBKF-UHFFFAOYSA-N
XLogP5.31
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-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 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one?
The IUPAC name of 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one (CID 11278743) is 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one?
The canonical SMILES for 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one is O=C(CCCCCCc1ccccc1)c1ncc(-c2ccco2)o1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one?
The InChIKey is TWQKSZUNMHKBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-17(20-21-15-19(24-20)18-13-8-14-23-18)12-7-2-1-4-9-16-10-5-3-6-11-16/h3,5-6,8,10-11,13-15H,1-2,4,7,9,12H2.
What are the key properties of 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one?
1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one has a molecular weight of 323.39 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one is sourced from PubChem (CID 11278743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).