tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate

C11H16N2O4 — CID 130003614

IUPACtert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NN1C(=O)OC2C=CCC21
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-9(14)12-13-7-5-4-6-8(7)16-10(13)15/h4,6-8H,5H2,1-3H3,(H,12,14)
InChIKeyWGJLUBPVXZVBFK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.58
Rot. Bonds1

About tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate

tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate (PubChem CID 130003614) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate
PubChem CID130003614
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nametert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NN1C(=O)OC2C=CCC21
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-9(14)12-13-7-5-4-6-8(7)16-10(13)15/h4,6-8H,5H2,1-3H3,(H,12,14)
InChIKeyWGJLUBPVXZVBFK-UHFFFAOYSA-N
XLogP1.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3aR,4S,7aS)-3-acetyl-2-oxo-3a,4,5,7a-tetrahydro-1,3-benzoxazol-4-yl]carbamate
CID 25222820
tert-butyl N-(2,5-dioxo-4-phenyl-1,3-oxazolidin-3-yl)carbamate
CID 24977249
tert-butyl N-[(3aR,4S,7aS)-2-oxo-3a,4,7,7a-tetrahydro-3H-1,3-benzoxazol-4-yl]carbamate
CID 102155814
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CID 101237918
tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate
CID 175371073
tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate
CID 100954112
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1R,5R,6S)-6-bicyclo[3.1.0]hex-2-enyl]carbamate
CID 129386413
tert-butyl N-(2-sulfanyl-2H-pyridin-1-yl)carbamate
CID 151561633
tert-butyl N-[(2R,3R)-2-(difluoromethyl)-4-oxo-3-tri(propan-2-yl)silyloxyazetidin-1-yl]carbamate
CID 68948483
tert-butyl N-[(3aS,7aR)-4-methyl-7-[(1R,2S)-2-methylcyclopropyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]carbamate
CID 138464033
tert-butyl N-(3-hydroxy-5-oxo-2H-pyrrol-1-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate (CID 130003614) is tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate is CC(C)(C)OC(=O)NN1C(=O)OC2C=CCC21.
What is the InChIKey of tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate?
The InChIKey is WGJLUBPVXZVBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,3)17-9(14)12-13-7-5-4-6-8(7)16-10(13)15/h4,6-8H,5H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate?
tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate has a molecular weight of 240.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-3-yl)carbamate is sourced from PubChem (CID 130003614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).