N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine

C15H21N3O — CID 72904267

IUPACN-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCc2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C15H21N3O/c1-5-13-17-18-14(19-13)16-10-11-6-8-12(9-7-11)15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeyNJUZGYCKODHQBA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine

N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 72904267) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID72904267
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NCc2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C15H21N3O/c1-5-13-17-18-14(19-13)16-10-11-6-8-12(9-7-11)15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18)
InChIKeyNJUZGYCKODHQBA-UHFFFAOYSA-N
XLogP3.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine (CID 72904267) is N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(NCc2ccc(C(C)(C)C)cc2)o1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NJUZGYCKODHQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-13-17-18-14(19-13)16-10-11-6-8-12(9-7-11)15(2,3)4/h6-9H,5,10H2,1-4H3,(H,16,18).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72904267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).