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

C21H25N3O3 — CID 22949427

IUPACtert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate
SMILESCc1noc(C(Cc2ccc3ccccc3c2)N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C21H25N3O3/c1-14-22-19(27-23-14)18(24(5)20(25)26-21(2,3)4)13-15-10-11-16-8-6-7-9-17(16)12-15/h6-12,18H,13H2,1-5H3
InChIKeyVUMYDLDYDYPYAD-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.68
Rot. Bonds4

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

tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate (PubChem CID 22949427) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate
PubChem CID22949427
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nametert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate
SMILESCc1noc(C(Cc2ccc3ccccc3c2)N(C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C21H25N3O3/c1-14-22-19(27-23-14)18(24(5)20(25)26-21(2,3)4)13-15-10-11-16-8-6-7-9-17(16)12-15/h6-12,18H,13H2,1-5H3
InChIKeyVUMYDLDYDYPYAD-UHFFFAOYSA-N
XLogP4.68
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate (CID 22949427) is tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate is Cc1noc(C(Cc2ccc3ccccc3c2)N(C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate?
The InChIKey is VUMYDLDYDYPYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-22-19(27-23-14)18(24(5)20(25)26-21(2,3)4)13-15-10-11-16-8-6-7-9-17(16)12-15/h6-12,18H,13H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate?
tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]carbamate is sourced from PubChem (CID 22949427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).