5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine

C14H23N5O2 — CID 106962688

IUPAC5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1noc(C)c1C(C)Nc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C14H23N5O2/c1-8(12-9(2)19-21-10(12)3)16-13-18-17-11(20-13)7-15-14(4,5)6/h8,15H,7H2,1-6H3,(H,16,18)
InChIKeyZSUCFADNGZTSHH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.74
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962688) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962688
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1noc(C)c1C(C)Nc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C14H23N5O2/c1-8(12-9(2)19-21-10(12)3)16-13-18-17-11(20-13)7-15-14(4,5)6/h8,15H,7H2,1-6H3,(H,16,18)
InChIKeyZSUCFADNGZTSHH-UHFFFAOYSA-N
XLogP2.74
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-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

5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106390517
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971203
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961715
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969
5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962083
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968457
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80847941

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106962688) is 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine is Cc1noc(C)c1C(C)Nc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZSUCFADNGZTSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-8(12-9(2)19-21-10(12)3)16-13-18-17-11(20-13)7-15-14(4,5)6/h8,15H,7H2,1-6H3,(H,16,18).
What are the key properties of 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).