tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate

C15H23N3O3 — CID 95899234

IUPACtert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)=Cc1nc([C@H](NC(=O)OC(C)(C)C)C2CC2)no1
InChIInChI=1S/C15H23N3O3/c1-9(2)8-11-16-13(18-21-11)12(10-6-7-10)17-14(19)20-15(3,4)5/h8,10,12H,6-7H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeySAIXDHRLJNVARS-GFCCVEGCSA-N
MW293.37 g/mol
LogP3.47
Rot. Bonds4

About tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate

tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 95899234) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID95899234
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)=Cc1nc([C@H](NC(=O)OC(C)(C)C)C2CC2)no1
InChIInChI=1S/C15H23N3O3/c1-9(2)8-11-16-13(18-21-11)12(10-6-7-10)17-14(19)20-15(3,4)5/h8,10,12H,6-7H2,1-5H3,(H,17,19)/t12-/m1/s1
InChIKeySAIXDHRLJNVARS-GFCCVEGCSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 95899234) is tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)=Cc1nc([C@H](NC(=O)OC(C)(C)C)C2CC2)no1.
What is the InChIKey of tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is SAIXDHRLJNVARS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)8-11-16-13(18-21-11)12(10-6-7-10)17-14(19)20-15(3,4)5/h8,10,12H,6-7H2,1-5H3,(H,17,19)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 95899234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).