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

C16H29N3O3 — CID 91541939

IUPACtert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(Cc1nnc(C(C)(C)C)o1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O3/c1-10(2)11(17-14(20)22-16(6,7)8)9-12-18-19-13(21-12)15(3,4)5/h10-11H,9H2,1-8H3,(H,17,20)
InChIKeyNBCAUUAIIXZFSZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.46
Rot. Bonds4

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

tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate (PubChem CID 91541939) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate
PubChem CID91541939
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(Cc1nnc(C(C)(C)C)o1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O3/c1-10(2)11(17-14(20)22-16(6,7)8)9-12-18-19-13(21-12)15(3,4)5/h10-11H,9H2,1-8H3,(H,17,20)
InChIKeyNBCAUUAIIXZFSZ-UHFFFAOYSA-N
XLogP3.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
CID 85303813
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
tert-butyl N-[(3R)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
CID 24824434
tert-butyl N-[(1Z,3S)-1-amino-1-hydroxyimino-4-methylpentan-3-yl]carbamate
CID 138708705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate (CID 91541939) is tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate is CC(C)C(Cc1nnc(C(C)(C)C)o1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate?
The InChIKey is NBCAUUAIIXZFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-10(2)11(17-14(20)22-16(6,7)8)9-12-18-19-13(21-12)15(3,4)5/h10-11H,9H2,1-8H3,(H,17,20).
What are the key properties of tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 91541939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).