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

C14H25N3O3 — CID 167047360

IUPACtert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate
SMILESCc1nc(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C14H25N3O3/c1-9(2)7-11(8-12-15-10(3)20-17-12)16-13(18)19-14(4,5)6/h9,11H,7-8H2,1-6H3,(H,16,18)/t11-/m0/s1
InChIKeyJZIVVYYZDFFTEF-NSHDSACASA-N
MW283.37 g/mol
LogP2.86
Rot. Bonds5

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

tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate (PubChem CID 167047360) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate
PubChem CID167047360
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate
SMILESCc1nc(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C14H25N3O3/c1-9(2)7-11(8-12-15-10(3)20-17-12)16-13(18)19-14(4,5)6/h9,11H,7-8H2,1-6H3,(H,16,18)/t11-/m0/s1
InChIKeyJZIVVYYZDFFTEF-NSHDSACASA-N
XLogP2.86
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate
CID 170534884
tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
CID 106391476
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
ethyl 3-[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,2,4-oxadiazole-5-carboxylate
CID 135255162
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl N-(1-hydroperoxy-4-methylpentan-2-yl)carbamate
CID 23598208
4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-amine
CID 163277320
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
CID 130009449
tert-butyl N-(1-cyano-4-methylpentan-2-yl)carbamate
CID 14925138
tert-butyl N-[(4S)-6-carbamoyl-2,8-dimethylnonan-4-yl]carbamate
CID 10805236
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
CID 107911467

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate (CID 167047360) is tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate is Cc1nc(C[C@H](CC(C)C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate?
The InChIKey is JZIVVYYZDFFTEF-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(2)7-11(8-12-15-10(3)20-17-12)16-13(18)19-14(4,5)6/h9,11H,7-8H2,1-6H3,(H,16,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate?
tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 167047360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).