tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

C15H22N4O5 — CID 154764940

IUPACtert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(NC(=O)Nc3ccon3)CO2)C1
InChIInChI=1S/C15H22N4O5/c1-14(2,3)24-13(21)19-8-15(9-19)6-10(7-22-15)16-12(20)17-11-4-5-23-18-11/h4-5,10H,6-9H2,1-3H3,(H2,16,17,18,20)
InChIKeyPPWDUNVXXOWJPN-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.57
Rot. Bonds2

About tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 154764940) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID154764940
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Nametert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC(NC(=O)Nc3ccon3)CO2)C1
InChIInChI=1S/C15H22N4O5/c1-14(2,3)24-13(21)19-8-15(9-19)6-10(7-22-15)16-12(20)17-11-4-5-23-18-11/h4-5,10H,6-9H2,1-3H3,(H2,16,17,18,20)
InChIKeyPPWDUNVXXOWJPN-UHFFFAOYSA-N
XLogP1.57
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 7-(aminomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 121229340
tert-butyl 7-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 177152407
1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
CID 108811981
tert-butyl 7-(difluoromethoxy)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 146272659
tert-butyl 4-[[4-(1,2-oxazol-3-ylcarbamoyl)-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 42628369
sodium 2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxa-2-azaspiro[3.4]octane-7-carboxylate
CID 122440040
tert-butyl 3-(ethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170119756
tert-butyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoylamino]piperidine-1-carboxylate
CID 25070782
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
tert-butyl 6-[(4-chlorophenyl)methylcarbamoylamino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166834913
tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
CID 166168690
tert-butyl (3R)-3-[(3-acetylphenyl)carbamoylamino]pyrrolidine-1-carboxylate
CID 95318306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate (CID 154764940) is tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC(NC(=O)Nc3ccon3)CO2)C1.
What is the InChIKey of tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is PPWDUNVXXOWJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-14(2,3)24-13(21)19-8-15(9-19)6-10(7-22-15)16-12(20)17-11-4-5-23-18-11/h4-5,10H,6-9H2,1-3H3,(H2,16,17,18,20).
What are the key properties of tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate?
tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(1,2-oxazol-3-ylcarbamoylamino)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 154764940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).