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

C12H22N4O3 — CID 57463456

IUPACtert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nnc(N)o1)C(C)(C)C
InChIInChI=1S/C12H22N4O3/c1-11(2,3)7(8-15-16-9(13)18-8)14-10(17)19-12(4,5)6/h7H,1-6H3,(H2,13,16)(H,14,17)/t7-/m1/s1
InChIKeyFTSCNAGNLSTMLO-SSDOTTSWSA-N
MW270.33 g/mol
LogP2.26
Rot. Bonds2

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

tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate (PubChem CID 57463456) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
PubChem CID57463456
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nametert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nnc(N)o1)C(C)(C)C
InChIInChI=1S/C12H22N4O3/c1-11(2,3)7(8-15-16-9(13)18-8)14-10(17)19-12(4,5)6/h7H,1-6H3,(H2,13,16)(H,14,17)/t7-/m1/s1
InChIKeyFTSCNAGNLSTMLO-SSDOTTSWSA-N
XLogP2.26
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 122243106
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-methylpropyl]carbamate
CID 139227790
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
CID 139227792
tert-Butyl [(1S)-1-{5-[(aminocarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 58124724
tert-butyl {(1S)-1-[5-(aminocarbonyl)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl}carbamate
CID 58124736
[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952021
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-tert-butylcarbamic acid
CID 66952238
tert-butyl-[(1S)-1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 66952381
[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamic acid
CID 67532202
tert-butyl [(1S)-1-{5-[(cyclopropylcarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 70795363
tert-butyl N-[1-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate
CID 70969151
tert-butyl N-[1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 70969152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate (CID 57463456) is tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1nnc(N)o1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
The InChIKey is FTSCNAGNLSTMLO-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-11(2,3)7(8-15-16-9(13)18-8)14-10(17)19-12(4,5)6/h7H,1-6H3,(H2,13,16)(H,14,17)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate?
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 57463456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).