[(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C9H10Cl2N2O3 — CID 26263682

IUPAC[(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC[C@H]1CC1(Cl)Cl
InChIInChI=1S/C9H10Cl2N2O3/c1-4-6(7(12)16-13-4)8(14)15-3-5-2-9(5,10)11/h5H,2-3,12H2,1H3/t5-/m1/s1
InChIKeyUMBRXZGWKIYJCR-RXMQYKEDSA-N
MW265.10 g/mol
LogP1.92
Rot. Bonds3

About [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 26263682) has the molecular formula C9H10Cl2N2O3 and a molecular weight of 265.10 g/mol. Its IUPAC name is [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID26263682
Molecular FormulaC9H10Cl2N2O3
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Name[(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC[C@H]1CC1(Cl)Cl
InChIInChI=1S/C9H10Cl2N2O3/c1-4-6(7(12)16-13-4)8(14)15-3-5-2-9(5,10)11/h5H,2-3,12H2,1H3/t5-/m1/s1
InChIKeyUMBRXZGWKIYJCR-RXMQYKEDSA-N
XLogP1.92
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 26263682) is [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OC[C@H]1CC1(Cl)Cl.
What is the InChIKey of [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UMBRXZGWKIYJCR-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3/c1-4-6(7(12)16-13-4)8(14)15-3-5-2-9(5,10)11/h5H,2-3,12H2,1H3/t5-/m1/s1.
What are the key properties of [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 265.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dichlorocyclopropyl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 26263682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).