(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate

C15H12N2O3 — CID 8956454

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate
SMILESCc1cc(COC(=O)/C=C/c2ccc(C#N)cc2)no1
InChIInChI=1S/C15H12N2O3/c1-11-8-14(17-20-11)10-19-15(18)7-6-12-2-4-13(9-16)5-3-12/h2-8H,10H2,1H3/b7-6+
InChIKeyZVRQTWIZPKTWDJ-VOTSOKGWSA-N
MW268.27 g/mol
LogP2.61
Rot. Bonds4

About (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate

(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate (PubChem CID 8956454) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate
PubChem CID8956454
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate
SMILESCc1cc(COC(=O)/C=C/c2ccc(C#N)cc2)no1
InChIInChI=1S/C15H12N2O3/c1-11-8-14(17-20-11)10-19-15(18)7-6-12-2-4-13(9-16)5-3-12/h2-8H,10H2,1H3/b7-6+
InChIKeyZVRQTWIZPKTWDJ-VOTSOKGWSA-N
XLogP2.61
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665539
(4-cyanophenyl)methyl 3-(4-methylphenyl)prop-2-enoate
CID 3898761
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8939747
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 28569989
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate
CID 9063219
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
CID 16869469
(5-methyl-1,2-oxazol-3-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
CID 8881115
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 8954724
octyl 3-(4-cyanophenyl)prop-2-enoate
CID 174991868
tert-butyl 3-(4-cyanophenyl)prop-2-enoate
CID 66690910
phenanthridin-6-ylmethyl (E)-3-(4-cyanophenyl)prop-2-enoate
CID 8007072
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate (CID 8956454) is (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate is Cc1cc(COC(=O)/C=C/c2ccc(C#N)cc2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate?
The InChIKey is ZVRQTWIZPKTWDJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-11-8-14(17-20-11)10-19-15(18)7-6-12-2-4-13(9-16)5-3-12/h2-8H,10H2,1H3/b7-6+.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate?
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate has a molecular weight of 268.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate is sourced from PubChem (CID 8956454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).