tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate

C14H25N3O4 — CID 138719909

IUPACtert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)Cc1noc(=O)[nH]1
InChIInChI=1S/C14H25N3O4/c1-8(2)11(16-12(18)20-14(4,5)6)9(3)7-10-15-13(19)21-17-10/h8-9,11H,7H2,1-6H3,(H,16,18)(H,15,17,19)/t9?,11-/m1/s1
InChIKeyILUJUORGLNNVFT-HCCKASOXSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds5

About tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate

tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate (PubChem CID 138719909) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate
PubChem CID138719909
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nametert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate
SMILESCC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)Cc1noc(=O)[nH]1
InChIInChI=1S/C14H25N3O4/c1-8(2)11(16-12(18)20-14(4,5)6)9(3)7-10-15-13(19)21-17-10/h8-9,11H,7H2,1-6H3,(H,16,18)(H,15,17,19)/t9?,11-/m1/s1
InChIKeyILUJUORGLNNVFT-HCCKASOXSA-N
XLogP2.09
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 139026733
tert-butyl N-[1-(4-methoxyphenyl)-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)butan-2-yl]carbamate
CID 137280112
tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate
CID 136812081
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 130606798
methyl N-[2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]carbamate
CID 137222898
methyl (3S,4S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 10891099
tert-butyl N-[(3S,4R)-4-hydroxy-2,7,7-trimethyl-6-oxooctan-3-yl]carbamate
CID 6917568
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
CID 11322160
tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate
CID 165340175

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate (CID 138719909) is tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)Cc1noc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate?
The InChIKey is ILUJUORGLNNVFT-HCCKASOXSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-8(2)11(16-12(18)20-14(4,5)6)9(3)7-10-15-13(19)21-17-10/h8-9,11H,7H2,1-6H3,(H,16,18)(H,15,17,19)/t9?,11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate?
tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2,4-dimethyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pentan-3-yl]carbamate is sourced from PubChem (CID 138719909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).