tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate

C10H15N3O3 — CID 82391666

IUPACtert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2onc(N)c21
InChIInChI=1S/C10H15N3O3/c1-10(2,3)15-9(14)13-5-4-6-7(13)8(11)12-16-6/h4-5H2,1-3H3,(H2,11,12)
InChIKeyHLGMIWIIOYTLFJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.55
Rot. Bonds

About tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate

tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate (PubChem CID 82391666) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate
PubChem CID82391666
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nametert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2onc(N)c21
InChIInChI=1S/C10H15N3O3/c1-10(2,3)15-9(14)13-5-4-6-7(13)8(11)12-16-6/h4-5H2,1-3H3,(H2,11,12)
InChIKeyHLGMIWIIOYTLFJ-UHFFFAOYSA-N
XLogP1.55
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-amino-7-methyl-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 83851299
tert-butyl 3-(4-bromophenyl)-4-oxo-6,7-dihydro-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 46904970
tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate
CID 20622497
tert-butyl 3-formyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 83866825
tert-butyl 2-acetyl-5,6-dihydrofuro[3,2-b]pyrrole-4-carboxylate
CID 82382571
5-O-tert-butyl 3-O-(chloromethyl) 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate
CID 165438867
tert-butyl 5-amino-4-[(Z)-2-aminoprop-1-enyl]-2,3-dihydropyrrole-1-carboxylate
CID 146595398
tert-butyl 3-methoxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 162360762
tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10015249
tert-butyl 6-amino-5-hydroxy-2,3-dihydroindole-1-carboxylate
CID 82382818
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
tert-butyl 5-bromo-7-methyl-2,3-dihydroindole-1-carboxylate
CID 153360716

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate?
The IUPAC name of tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate (CID 82391666) is tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate?
The canonical SMILES for tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate is CC(C)(C)OC(=O)N1CCc2onc(N)c21.
What is the InChIKey of tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate?
The InChIKey is HLGMIWIIOYTLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)15-9(14)13-5-4-6-7(13)8(11)12-16-6/h4-5H2,1-3H3,(H2,11,12).
What are the key properties of tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate?
tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate is sourced from PubChem (CID 82391666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).