(4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone

C17H21NO2 — CID 177408547

IUPAC(4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone
SMILESCCCCCCc1nc(C)oc1C(=O)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-4-5-9-12-15-17(20-13(2)18-15)16(19)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyJQPONKNHTMNFDV-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.34
Rot. Bonds7

About (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone

(4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone (PubChem CID 177408547) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone
PubChem CID177408547
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone
SMILESCCCCCCc1nc(C)oc1C(=O)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-4-5-9-12-15-17(20-13(2)18-15)16(19)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyJQPONKNHTMNFDV-UHFFFAOYSA-N
XLogP4.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone 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 (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone?
The IUPAC name of (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone (CID 177408547) is (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone.
What is the SMILES notation for (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone?
The canonical SMILES for (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone is CCCCCCc1nc(C)oc1C(=O)c1ccccc1.
What is the InChIKey of (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone?
The InChIKey is JQPONKNHTMNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-4-5-9-12-15-17(20-13(2)18-15)16(19)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12H2,1-2H3.
What are the key properties of (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone?
(4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone has a molecular weight of 271.36 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexyl-2-methyl-1,3-oxazol-5-yl)-phenylmethanone is sourced from PubChem (CID 177408547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).