methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate

C10H14N2O3 — CID 106373636

IUPACmethyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate
SMILESCOC(=O)/C=C/NCc1nc(C)c(C)o1
InChIInChI=1S/C10H14N2O3/c1-7-8(2)15-9(12-7)6-11-5-4-10(13)14-3/h4-5,11H,6H2,1-3H3/b5-4+
InChIKeyKEJOINKQPGUFQH-SNAWJCMRSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds4

About methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate

methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate (PubChem CID 106373636) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate
PubChem CID106373636
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate
SMILESCOC(=O)/C=C/NCc1nc(C)c(C)o1
InChIInChI=1S/C10H14N2O3/c1-7-8(2)15-9(12-7)6-11-5-4-10(13)14-3/h4-5,11H,6H2,1-3H3/b5-4+
InChIKeyKEJOINKQPGUFQH-SNAWJCMRSA-N
XLogP1.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate (CID 106373636) is methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate is COC(=O)/C=C/NCc1nc(C)c(C)o1.
What is the InChIKey of methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate?
The InChIKey is KEJOINKQPGUFQH-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-8(2)15-9(12-7)6-11-5-4-10(13)14-3/h4-5,11H,6H2,1-3H3/b5-4+.
What are the key properties of methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate?
methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate has a molecular weight of 210.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]prop-2-enoate is sourced from PubChem (CID 106373636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).