tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid

C10H17N3O3 — CID 66661395

IUPACtert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
SMILESCc1noc([C@@H](C)N(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C10H17N3O3/c1-6(8-11-7(2)12-16-8)13(9(14)15)10(3,4)5/h6H,1-5H3,(H,14,15)/t6-/m1/s1
InChIKeyUAPDIZLYVWYFEG-ZCFIWIBFSA-N
MW227.26 g/mol
LogP2.22
Rot. Bonds2

About tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid

tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid (PubChem CID 66661395) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
PubChem CID66661395
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nametert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
SMILESCc1noc([C@@H](C)N(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C10H17N3O3/c1-6(8-11-7(2)12-16-8)13(9(14)15)10(3,4)5/h6H,1-5H3,(H,14,15)/t6-/m1/s1
InChIKeyUAPDIZLYVWYFEG-ZCFIWIBFSA-N
XLogP2.22
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid (CID 66661395) is tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid is Cc1noc([C@@H](C)N(C(=O)O)C(C)(C)C)n1.
What is the InChIKey of tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
The InChIKey is UAPDIZLYVWYFEG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(8-11-7(2)12-16-8)13(9(14)15)10(3,4)5/h6H,1-5H3,(H,14,15)/t6-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid?
tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid has a molecular weight of 227.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 66661395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).