tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate

C14H23N3O3 — CID 57462850

IUPACtert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(C2CC2)no1
InChIInChI=1S/C14H23N3O3/c1-8(2)10(15-13(18)19-14(3,4)5)12-16-11(17-20-12)9-6-7-9/h8-10H,6-7H2,1-5H3,(H,15,18)/t10-/m0/s1
InChIKeyHJZVWDXIDQPAOA-JTQLQIEISA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate

tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate (PubChem CID 57462850) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate
PubChem CID57462850
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(C2CC2)no1
InChIInChI=1S/C14H23N3O3/c1-8(2)10(15-13(18)19-14(3,4)5)12-16-11(17-20-12)9-6-7-9/h8-10H,6-7H2,1-5H3,(H,15,18)/t10-/m0/s1
InChIKeyHJZVWDXIDQPAOA-JTQLQIEISA-N
XLogP3.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate (CID 57462850) is tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(C2CC2)no1.
What is the InChIKey of tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate?
The InChIKey is HJZVWDXIDQPAOA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8(2)10(15-13(18)19-14(3,4)5)12-16-11(17-20-12)9-6-7-9/h8-10H,6-7H2,1-5H3,(H,15,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate?
tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 57462850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).