tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C14H20N2O3 — CID 71250613

IUPACtert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1conc1C12CC1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H20N2O3/c1-9-7-18-15-11(9)14-5-10(14)6-16(8-14)12(17)19-13(2,3)4/h7,10H,5-6,8H2,1-4H3
InChIKeyPVERIPPHWJCCQR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.49
Rot. Bonds1

About tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 71250613) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID71250613
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1conc1C12CC1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H20N2O3/c1-9-7-18-15-11(9)14-5-10(14)6-16(8-14)12(17)19-13(2,3)4/h7,10H,5-6,8H2,1-4H3
InChIKeyPVERIPPHWJCCQR-UHFFFAOYSA-N
XLogP2.49
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

tert-butyl (1R,5R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 86699315
tert-butyl 1-[4-(bromomethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 76565056
tert-butyl 1-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250569
tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 126698998
tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130346995
tert-butyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 156674762
(1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 167994280
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 97291630
tert-butyl 1-methyl-7-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 53408539
tert-butyl (1S,5R)-1-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 90845679
(3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrole-6a-carboxylic acid
CID 125424158
3-O-tert-butyl 1-O-ethyl (1S,5S)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate
CID 95757536

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 71250613) is tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is Cc1conc1C12CC1CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is PVERIPPHWJCCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-18-15-11(9)14-5-10(14)6-16(8-14)12(17)19-13(2,3)4/h7,10H,5-6,8H2,1-4H3.
What are the key properties of tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 71250613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).