butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate

C19H19NO3S — CID 13105445

IUPACbutyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
SMILESCCCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1
InChIInChI=1S/C19H19NO3S/c1-2-3-10-22-17(21)12-16-18(15-9-11-24-13-15)23-19(20-16)14-7-5-4-6-8-14/h4-9,11,13H,2-3,10,12H2,1H3
InChIKeyBRPKAVNYXCNTAH-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.96
Rot. Bonds7

About butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate

butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate (PubChem CID 13105445) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
PubChem CID13105445
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Namebutyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate
SMILESCCCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1
InChIInChI=1S/C19H19NO3S/c1-2-3-10-22-17(21)12-16-18(15-9-11-24-13-15)23-19(20-16)14-7-5-4-6-8-14/h4-9,11,13H,2-3,10,12H2,1H3
InChIKeyBRPKAVNYXCNTAH-UHFFFAOYSA-N
XLogP4.96
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate 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 butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate (CID 13105445) is butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate is CCCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1.
What is the InChIKey of butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is BRPKAVNYXCNTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-2-3-10-22-17(21)12-16-18(15-9-11-24-13-15)23-19(20-16)14-7-5-4-6-8-14/h4-9,11,13H,2-3,10,12H2,1H3.
What are the key properties of butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate?
butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 341.43 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 13105445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).