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

C15H19N3O3 — CID 163257034

IUPACtert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate
SMILESCc1nnc(-c2ccccc2CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H19N3O3/c1-10-17-18-13(20-10)12-8-6-5-7-11(12)9-16-14(19)21-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyOVHGRESCMBOEFI-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.07
Rot. Bonds3

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

tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate (PubChem CID 163257034) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate
PubChem CID163257034
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nametert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate
SMILESCc1nnc(-c2ccccc2CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C15H19N3O3/c1-10-17-18-13(20-10)12-8-6-5-7-11(12)9-16-14(19)21-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,19)
InChIKeyOVHGRESCMBOEFI-UHFFFAOYSA-N
XLogP3.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate (CID 163257034) is tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate is Cc1nnc(-c2ccccc2CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate?
The InChIKey is OVHGRESCMBOEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-17-18-13(20-10)12-8-6-5-7-11(12)9-16-14(19)21-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate?
tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate has a molecular weight of 289.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 163257034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).