tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate

C19H24N4O3 — CID 139325432

IUPACtert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)Cc1cnoc1-c1ccc(C#N)cc1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)25-18(24)21-9-10-23(4)13-16-12-22-26-17(16)15-7-5-14(11-20)6-8-15/h5-8,12H,9-10,13H2,1-4H3,(H,21,24)
InChIKeyWEIXOOOHCYQHNX-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.17
Rot. Bonds6

About tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate

tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate (PubChem CID 139325432) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate
PubChem CID139325432
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nametert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)Cc1cnoc1-c1ccc(C#N)cc1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)25-18(24)21-9-10-23(4)13-16-12-22-26-17(16)15-7-5-14(11-20)6-8-15/h5-8,12H,9-10,13H2,1-4H3,(H,21,24)
InChIKeyWEIXOOOHCYQHNX-UHFFFAOYSA-N
XLogP3.17
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[3-[[N-[(4-cyanophenyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
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tert-butyl N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]carbamate
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tert-butyl N-[2-[4-(5-cyano-2-methylphenyl)pyrazol-1-yl]ethyl]carbamate
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tert-butyl N-[2-[methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]ethyl]carbamate
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tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
tert-butyl N-[2-[bis[(6-chloro-3-pyridinyl)methyl]amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate (CID 139325432) is tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate is CN(CCNC(=O)OC(C)(C)C)Cc1cnoc1-c1ccc(C#N)cc1.
What is the InChIKey of tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate?
The InChIKey is WEIXOOOHCYQHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)25-18(24)21-9-10-23(4)13-16-12-22-26-17(16)15-7-5-14(11-20)6-8-15/h5-8,12H,9-10,13H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate?
tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate has a molecular weight of 356.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-(4-cyanophenyl)-1,2-oxazol-4-yl]methyl-methylamino]ethyl]carbamate is sourced from PubChem (CID 139325432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).