5-tert-butyl-1,2-oxazol-3-amine;ethane

C9H18N2O — CID 142449889

IUPAC5-tert-butyl-1,2-oxazol-3-amine;ethane
SMILESCC.CC(C)(C)c1cc(N)no1
InChIInChI=1S/C7H12N2O.C2H6/c1-7(2,3)5-4-6(8)9-10-5;1-2/h4H,1-3H3,(H2,8,9);1-2H3
InChIKeyNJGUCRAKBXDLTH-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.58
Rot. Bonds

About 5-tert-butyl-1,2-oxazol-3-amine;ethane

5-tert-butyl-1,2-oxazol-3-amine;ethane (PubChem CID 142449889) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-tert-butyl-1,2-oxazol-3-amine;ethane.

Molecular Properties

Compound Name5-tert-butyl-1,2-oxazol-3-amine;ethane
PubChem CID142449889
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-tert-butyl-1,2-oxazol-3-amine;ethane
SMILESCC.CC(C)(C)c1cc(N)no1
InChIInChI=1S/C7H12N2O.C2H6/c1-7(2,3)5-4-6(8)9-10-5;1-2/h4H,1-3H3,(H2,8,9);1-2H3
InChIKeyNJGUCRAKBXDLTH-UHFFFAOYSA-N
XLogP2.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-1,2-oxazol-3-amine;ethane 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-butyl-1,2-oxazol-3-amine;hydrochloride
CID 11969519
5-(2-methoxypropan-2-yl)-1,2-oxazol-3-amine
CID 121320780
5-tert-butyl-3-chloro-1,2-oxazole
CID 84650983
3-bromo-5-tert-butyl-1,2-oxazole
CID 59146011
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
5-tert-butyl-3-prop-1-en-2-yl-1,2-oxazole
CID 91419282
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
3-(5-tert-butyl-1,2-oxazol-3-yl)propan-1-amine;hydrochloride
CID 126843999
5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[2-(4,4-difluoropiperidin-1-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 171932532
5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane
CID 162210969
5-propan-2-yl-1,2-oxazol-3-amine
CID 13334663
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-oxazol-3-amine;ethane?
The IUPAC name of 5-tert-butyl-1,2-oxazol-3-amine;ethane (CID 142449889) is 5-tert-butyl-1,2-oxazol-3-amine;ethane.
What is the SMILES notation for 5-tert-butyl-1,2-oxazol-3-amine;ethane?
The canonical SMILES for 5-tert-butyl-1,2-oxazol-3-amine;ethane is CC.CC(C)(C)c1cc(N)no1.
What is the InChIKey of 5-tert-butyl-1,2-oxazol-3-amine;ethane?
The InChIKey is NJGUCRAKBXDLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2H6/c1-7(2,3)5-4-6(8)9-10-5;1-2/h4H,1-3H3,(H2,8,9);1-2H3.
What are the key properties of 5-tert-butyl-1,2-oxazol-3-amine;ethane?
5-tert-butyl-1,2-oxazol-3-amine;ethane has a molecular weight of 170.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-oxazol-3-amine;ethane is sourced from PubChem (CID 142449889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).