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

C10H17N3O3 — CID 56770615

IUPACtert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
SMILESCc1noc([C@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C10H17N3O3/c1-6(8-12-7(2)13-16-8)11-9(14)15-10(3,4)5/h6H,1-5H3,(H,11,14)/t6-/m0/s1
InChIKeyKRZNFMNCDPFVSA-LURJTMIESA-N
MW227.26 g/mol
LogP1.96
Rot. Bonds2

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

tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate (PubChem CID 56770615) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
PubChem CID56770615
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nametert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
SMILESCc1noc([C@H](C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C10H17N3O3/c1-6(8-12-7(2)13-16-8)11-9(14)15-10(3,4)5/h6H,1-5H3,(H,11,14)/t6-/m0/s1
InChIKeyKRZNFMNCDPFVSA-LURJTMIESA-N
XLogP1.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 90414461
[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] N-tert-butylcarbamate
CID 91297096
tert-butyl N-[(1S)-1-[3-(2-chloro-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 162768021
tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 97179370
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
tert-butyl N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethylsulfanyl]ethyl]carbamate
CID 140643356
tert-butyl N-[1-[4-(hydroxymethyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 68670260
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 60606531
tert-butyl N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]carbamate
CID 90739985
tert-butyl N-[1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)ethyl]carbamate
CID 4906017
methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
CID 77230842

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate (CID 56770615) is tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate is Cc1noc([C@H](C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate?
The InChIKey is KRZNFMNCDPFVSA-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(8-12-7(2)13-16-8)11-9(14)15-10(3,4)5/h6H,1-5H3,(H,11,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.96, 2 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-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 56770615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).