(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate

C14H15NO3S — CID 55517849

IUPAC(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
SMILESCC/C=C/C(=O)OCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C14H15NO3S/c1-3-4-7-13(16)17-9-11-10(2)18-14(15-11)12-6-5-8-19-12/h4-8H,3,9H2,1-2H3/b7-4+
InChIKeyYZNJZEVCGCMUMM-QPJJXVBHSA-N
MW277.34 g/mol
LogP3.72
Rot. Bonds5

About (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate (PubChem CID 55517849) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate.

Molecular Properties

Compound Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
PubChem CID55517849
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
SMILESCC/C=C/C(=O)OCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C14H15NO3S/c1-3-4-7-13(16)17-9-11-10(2)18-14(15-11)12-6-5-8-19-12/h4-8H,3,9H2,1-2H3/b7-4+
InChIKeyYZNJZEVCGCMUMM-QPJJXVBHSA-N
XLogP3.72
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.72
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-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(methylamino)benzoate
CID 24651519
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 18145180
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3,4-difluorobenzoate
CID 24618782
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxyimino]butan-2-one
CID 136554626
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 24619120
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate
CID 24619139
3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 99628868
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 30908157
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (2R)-2-benzamido-3-hydroxypropanoate
CID 51966261
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 75416781
5-methyl-4-[(2-methylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 55511571

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate?
The IUPAC name of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate (CID 55517849) is (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate.
What is the SMILES notation for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate?
The canonical SMILES for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate is CC/C=C/C(=O)OCc1nc(-c2cccs2)oc1C.
What is the InChIKey of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate?
The InChIKey is YZNJZEVCGCMUMM-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-4-7-13(16)17-9-11-10(2)18-14(15-11)12-6-5-8-19-12/h4-8H,3,9H2,1-2H3/b7-4+.
What are the key properties of (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate?
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate has a molecular weight of 277.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate is sourced from PubChem (CID 55517849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).