(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate

C18H15NO3S — CID 71899790

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)C=Cc1ccsc1
InChIInChI=1S/C18H15NO3S/c1-13-16(19-18(22-13)15-5-3-2-4-6-15)11-21-17(20)8-7-14-9-10-23-12-14/h2-10,12H,11H2,1H3
InChIKeyAVKKAMSDBRIAAN-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.47
Rot. Bonds5

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate (PubChem CID 71899790) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate
PubChem CID71899790
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)C=Cc1ccsc1
InChIInChI=1S/C18H15NO3S/c1-13-16(19-18(22-13)15-5-3-2-4-6-15)11-21-17(20)8-7-14-9-10-23-12-14/h2-10,12H,11H2,1H3
InChIKeyAVKKAMSDBRIAAN-UHFFFAOYSA-N
XLogP4.47
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-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-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 16589205
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 16588900
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate
CID 16589390
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7630427
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate
CID 86750133
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
CID 174457972
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16588456
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate (CID 71899790) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate is Cc1oc(-c2ccccc2)nc1COC(=O)C=Cc1ccsc1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate?
The InChIKey is AVKKAMSDBRIAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-13-16(19-18(22-13)15-5-3-2-4-6-15)11-21-17(20)8-7-14-9-10-23-12-14/h2-10,12H,11H2,1H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate has a molecular weight of 325.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate is sourced from PubChem (CID 71899790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).