4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine

C14H15N3O — CID 117355368

IUPAC4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine
SMILESCc1c(C)n(C)c2cc(-c3cnoc3N)ccc12
InChIInChI=1S/C14H15N3O/c1-8-9(2)17(3)13-6-10(4-5-11(8)13)12-7-16-18-14(12)15/h4-7H,15H2,1-3H3
InChIKeyNPWKUFSCFYQROK-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.03
Rot. Bonds1

About 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine

4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine (PubChem CID 117355368) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine
PubChem CID117355368
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine
SMILESCc1c(C)n(C)c2cc(-c3cnoc3N)ccc12
InChIInChI=1S/C14H15N3O/c1-8-9(2)17(3)13-6-10(4-5-11(8)13)12-7-16-18-14(12)15/h4-7H,15H2,1-3H3
InChIKeyNPWKUFSCFYQROK-UHFFFAOYSA-N
XLogP3.03
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-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

4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305300
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305301
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
CID 117334117
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055
4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
CID 117336621
2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
CID 155718046
4-(3-ethylphenyl)-1,2-oxazol-5-amine
CID 117281180
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine (CID 117355368) is 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine is Cc1c(C)n(C)c2cc(-c3cnoc3N)ccc12.
What is the InChIKey of 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine?
The InChIKey is NPWKUFSCFYQROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-8-9(2)17(3)13-6-10(4-5-11(8)13)12-7-16-18-14(12)15/h4-7H,15H2,1-3H3.
What are the key properties of 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine?
4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine has a molecular weight of 241.29 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117355368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).