[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate

C20H17NO3 — CID 16869469

IUPAC[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
SMILESCc1ccc(-c2cc(COC(=O)/C=C\c3ccccc3)no2)cc1
InChIInChI=1S/C20H17NO3/c1-15-7-10-17(11-8-15)19-13-18(21-24-19)14-23-20(22)12-9-16-5-3-2-4-6-16/h2-13H,14H2,1H3/b12-9-
InChIKeyURFPSGIAHJWBTC-XFXZXTDPSA-N
MW319.36 g/mol
LogP4.41
Rot. Bonds5

About [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate (PubChem CID 16869469) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
PubChem CID16869469
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
SMILESCc1ccc(-c2cc(COC(=O)/C=C\c3ccccc3)no2)cc1
InChIInChI=1S/C20H17NO3/c1-15-7-10-17(11-8-15)19-13-18(21-24-19)14-23-20(22)12-9-16-5-3-2-4-6-16/h2-13H,14H2,1H3/b12-9-
InChIKeyURFPSGIAHJWBTC-XFXZXTDPSA-N
XLogP4.41
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869440
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8568914
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-thiophen-2-ylprop-2-enoate
CID 71962025
(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate
CID 3675548
(5-phenyl-1,2-oxazol-3-yl)methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16608229
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
CID 16869420
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8651891
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl (Z)-but-2-enoate
CID 16870045
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate
CID 8956454
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 16869514
(5-phenyl-1,2-oxazol-3-yl)methyl 2-methyl-2-phenylpropanoate
CID 8568214

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate (CID 16869469) is [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate is Cc1ccc(-c2cc(COC(=O)/C=C\c3ccccc3)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate?
The InChIKey is URFPSGIAHJWBTC-XFXZXTDPSA-N. The full InChI is InChI=1S/C20H17NO3/c1-15-7-10-17(11-8-15)19-13-18(21-24-19)14-23-20(22)12-9-16-5-3-2-4-6-16/h2-13H,14H2,1H3/b12-9-.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate?
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate has a molecular weight of 319.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate is sourced from PubChem (CID 16869469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).