N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine

C13H17N3O2 — CID 110456066

IUPACN-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(-c2nnc(NC(C)(C)C)o2)c1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)14-12-16-15-11(18-12)9-6-5-7-10(8-9)17-4/h5-8H,1-4H3,(H,14,16)
InChIKeyPUWRSLKMNQEUAZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.96
Rot. Bonds3

About N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine

N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456066) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID110456066
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(-c2nnc(NC(C)(C)C)o2)c1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)14-12-16-15-11(18-12)9-6-5-7-10(8-9)17-4/h5-8H,1-4H3,(H,14,16)
InChIKeyPUWRSLKMNQEUAZ-UHFFFAOYSA-N
XLogP2.96
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
2-(3,5-diiodophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 67510995
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide
CID 43981074
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5050382
N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
CID 110456058
4-tert-butyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652825
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4064257

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 110456066) is N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1cccc(-c2nnc(NC(C)(C)C)o2)c1.
What is the InChIKey of N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PUWRSLKMNQEUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)14-12-16-15-11(18-12)9-6-5-7-10(8-9)17-4/h5-8H,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).