methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate

C12H14N2O4 — CID 15056707

IUPACmethyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate
SMILESC=C(C)c1noc(C(=O)NC2CC2)c1C(=O)OC
InChIInChI=1S/C12H14N2O4/c1-6(2)9-8(12(16)17-3)10(18-14-9)11(15)13-7-4-5-7/h7H,1,4-5H2,2-3H3,(H,13,15)
InChIKeyYXYLEAXOCDAERY-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.39
Rot. Bonds4

About methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate

methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate (PubChem CID 15056707) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate
PubChem CID15056707
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate
SMILESC=C(C)c1noc(C(=O)NC2CC2)c1C(=O)OC
InChIInChI=1S/C12H14N2O4/c1-6(2)9-8(12(16)17-3)10(18-14-9)11(15)13-7-4-5-7/h7H,1,4-5H2,2-3H3,(H,13,15)
InChIKeyYXYLEAXOCDAERY-UHFFFAOYSA-N
XLogP1.39
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate (CID 15056707) is methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate is C=C(C)c1noc(C(=O)NC2CC2)c1C(=O)OC.
What is the InChIKey of methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate?
The InChIKey is YXYLEAXOCDAERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-6(2)9-8(12(16)17-3)10(18-14-9)11(15)13-7-4-5-7/h7H,1,4-5H2,2-3H3,(H,13,15).
What are the key properties of methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate?
methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate has a molecular weight of 250.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15056707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).