tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane

C15H29N3O3 — CID 162438051

IUPACtert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane
SMILESCC.Cc1cc(CNCCN(C)C(=O)OC(C)(C)C)no1
InChIInChI=1S/C13H23N3O3.C2H6/c1-10-8-11(15-19-10)9-14-6-7-16(5)12(17)18-13(2,3)4;1-2/h8,14H,6-7,9H2,1-5H3;1-2H3
InChIKeyDZNSDKKGVXYFCY-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.97
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane

tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane (PubChem CID 162438051) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane
PubChem CID162438051
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane
SMILESCC.Cc1cc(CNCCN(C)C(=O)OC(C)(C)C)no1
InChIInChI=1S/C13H23N3O3.C2H6/c1-10-8-11(15-19-10)9-14-6-7-16(5)12(17)18-13(2,3)4;1-2/h8,14H,6-7,9H2,1-5H3;1-2H3
InChIKeyDZNSDKKGVXYFCY-UHFFFAOYSA-N
XLogP2.97
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953299
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
tert-butyl N-[2-[(3-fluoro-5-hydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 104878956
tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
CID 107244952
tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
CID 103638800
tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103920808
tert-butyl N-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953303
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 103792918
tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 103699064
tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
CID 103647372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane?
The IUPAC name of tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane (CID 162438051) is tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane is CC.Cc1cc(CNCCN(C)C(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane?
The InChIKey is DZNSDKKGVXYFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3.C2H6/c1-10-8-11(15-19-10)9-14-6-7-16(5)12(17)18-13(2,3)4;1-2/h8,14H,6-7,9H2,1-5H3;1-2H3.
What are the key properties of tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane?
tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane has a molecular weight of 299.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]ethyl]carbamate;ethane is sourced from PubChem (CID 162438051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).