[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate

C14H14N2O5 — CID 2526116

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1cc(NC(=O)COC(=O)/C=C/c2ccc(C)o2)no1
InChIInChI=1S/C14H14N2O5/c1-9-3-4-11(20-9)5-6-14(18)19-8-13(17)15-12-7-10(2)21-16-12/h3-7H,8H2,1-2H3,(H,15,16,17)/b6-5+
InChIKeyIWDHROQYIIYWTB-AATRIKPKSA-N
MW290.28 g/mol
LogP2.08
Rot. Bonds5

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 2526116) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID2526116
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1cc(NC(=O)COC(=O)/C=C/c2ccc(C)o2)no1
InChIInChI=1S/C14H14N2O5/c1-9-3-4-11(20-9)5-6-14(18)19-8-13(17)15-12-7-10(2)21-16-12/h3-7H,8H2,1-2H3,(H,15,16,17)/b6-5+
InChIKeyIWDHROQYIIYWTB-AATRIKPKSA-N
XLogP2.08
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate (CID 2526116) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate is Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(C)o2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is IWDHROQYIIYWTB-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9-3-4-11(20-9)5-6-14(18)19-8-13(17)15-12-7-10(2)21-16-12/h3-7H,8H2,1-2H3,(H,15,16,17)/b6-5+.
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 290.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 2526116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).