(1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate

C12H15N3O5 — CID 57221837

IUPAC(1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCC(C)c1noc(NC=O)c1C(=O)OC1(C(N)=O)CC1
InChIInChI=1S/C12H15N3O5/c1-6(2)8-7(9(14-5-16)20-15-8)10(17)19-12(3-4-12)11(13)18/h5-6H,3-4H2,1-2H3,(H2,13,18)(H,14,16)
InChIKeyYIEHFZRWAVKSQC-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.54
Rot. Bonds6

About (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate

(1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate (PubChem CID 57221837) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
PubChem CID57221837
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
SMILESCC(C)c1noc(NC=O)c1C(=O)OC1(C(N)=O)CC1
InChIInChI=1S/C12H15N3O5/c1-6(2)8-7(9(14-5-16)20-15-8)10(17)19-12(3-4-12)11(13)18/h5-6H,3-4H2,1-2H3,(H2,13,18)(H,14,16)
InChIKeyYIEHFZRWAVKSQC-UHFFFAOYSA-N
XLogP0.54
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate?
The IUPAC name of (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate (CID 57221837) is (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate is CC(C)c1noc(NC=O)c1C(=O)OC1(C(N)=O)CC1.
What is the InChIKey of (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate?
The InChIKey is YIEHFZRWAVKSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-6(2)8-7(9(14-5-16)20-15-8)10(17)19-12(3-4-12)11(13)18/h5-6H,3-4H2,1-2H3,(H2,13,18)(H,14,16).
What are the key properties of (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate?
(1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate has a molecular weight of 281.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclopropyl) 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 57221837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).