(5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate

C17H13NO3S — CID 71953934

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate
SMILESO=C(C=Cc1cccs1)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H13NO3S/c19-17(9-8-14-7-4-10-22-14)20-12-16-18-11-15(21-16)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyVVLAMEKRTYTVAJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.16
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate

(5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate (PubChem CID 71953934) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate
PubChem CID71953934
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate
SMILESO=C(C=Cc1cccs1)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H13NO3S/c19-17(9-8-14-7-4-10-22-14)20-12-16-18-11-15(21-16)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyVVLAMEKRTYTVAJ-UHFFFAOYSA-N
XLogP4.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(5-bromothiophen-2-yl)prop-2-enoate
CID 7712560
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663862
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971823
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 41496961
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7971522
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate
CID 8568341
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-thiophen-2-ylprop-2-enoate
CID 71962025
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519072
(5-phenyl-1,3-oxazol-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16500406
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 30928179
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate (CID 71953934) is (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate is O=C(C=Cc1cccs1)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate?
The InChIKey is VVLAMEKRTYTVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-17(9-8-14-7-4-10-22-14)20-12-16-18-11-15(21-16)13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate has a molecular weight of 311.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 71953934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).