tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate

C16H25N3O3 — CID 139373537

IUPACtert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(N2CCCCOCC2)n1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)18-13-7-6-8-14(17-13)19-9-4-5-11-21-12-10-19/h6-8H,4-5,9-12H2,1-3H3,(H,17,18,20)
InChIKeyNEDRLNBJOOAJJL-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate

tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate (PubChem CID 139373537) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate
PubChem CID139373537
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(N2CCCCOCC2)n1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)18-13-7-6-8-14(17-13)19-9-4-5-11-21-12-10-19/h6-8H,4-5,9-12H2,1-3H3,(H,17,18,20)
InChIKeyNEDRLNBJOOAJJL-UHFFFAOYSA-N
XLogP3.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
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CID 90939785
2-methyl-2-[4-[2-oxo-2-[(6-piperidin-1-yl-2-pyridinyl)amino]ethyl]phenyl]propanoic acid
CID 156555845
tert-butyl N-[3-tert-butyl-1-(3-morpholin-4-ylphenyl)pyrazol-5-yl]carbamate
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tert-butyl N-(3-morpholin-4-yl-2-nitrophenyl)carbamate
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6-(azepan-1-yl)-N-ethylpyridin-2-amine
CID 80764538
tert-butyl N-[6-(azepan-1-yl)-3-pyridinyl]carbamate
CID 113015925
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
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tert-butyl N-[6-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-pyridinyl]carbamate
CID 168506921
tert-butyl (2S)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxylate
CID 124500262
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
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tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
CID 113021128

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate (CID 139373537) is tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(N2CCCCOCC2)n1.
What is the InChIKey of tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate?
The InChIKey is NEDRLNBJOOAJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)18-13-7-6-8-14(17-13)19-9-4-5-11-21-12-10-19/h6-8H,4-5,9-12H2,1-3H3,(H,17,18,20).
What are the key properties of tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate?
tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 139373537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).