methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate

C9H10N2O4 — CID 10632235

IUPACmethyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate
SMILESC=C(NC(=O)c1coc(C)n1)C(=O)OC
InChIInChI=1S/C9H10N2O4/c1-5(9(13)14-3)10-8(12)7-4-15-6(2)11-7/h4H,1H2,2-3H3,(H,10,12)
InChIKeyPOSDLZALRCVOQA-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.40
Rot. Bonds3

About methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate

methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate (PubChem CID 10632235) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate
PubChem CID10632235
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate
SMILESC=C(NC(=O)c1coc(C)n1)C(=O)OC
InChIInChI=1S/C9H10N2O4/c1-5(9(13)14-3)10-8(12)7-4-15-6(2)11-7/h4H,1H2,2-3H3,(H,10,12)
InChIKeyPOSDLZALRCVOQA-UHFFFAOYSA-N
XLogP0.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.40
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 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate?
The IUPAC name of methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate (CID 10632235) is methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate is C=C(NC(=O)c1coc(C)n1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate?
The InChIKey is POSDLZALRCVOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5(9(13)14-3)10-8(12)7-4-15-6(2)11-7/h4H,1H2,2-3H3,(H,10,12).
What are the key properties of methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate?
methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate has a molecular weight of 210.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1,3-oxazole-4-carbonyl)amino]prop-2-enoate is sourced from PubChem (CID 10632235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).