2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine

C14H16N4O2 — CID 79964561

IUPAC2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
SMILESCc1cc(CN(C)Cc2nc3cc(N)ccc3o2)no1
InChIInChI=1S/C14H16N4O2/c1-9-5-11(17-20-9)7-18(2)8-14-16-12-6-10(15)3-4-13(12)19-14/h3-6H,7-8,15H2,1-2H3
InChIKeyGCTWEXKGCSXSPX-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.34
Rot. Bonds4

About 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine

2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine (PubChem CID 79964561) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
PubChem CID79964561
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
SMILESCc1cc(CN(C)Cc2nc3cc(N)ccc3o2)no1
InChIInChI=1S/C14H16N4O2/c1-9-5-11(17-20-9)7-18(2)8-14-16-12-6-10(15)3-4-13(12)19-14/h3-6H,7-8,15H2,1-2H3
InChIKeyGCTWEXKGCSXSPX-UHFFFAOYSA-N
XLogP2.34
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-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

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine (CID 79964561) is 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine is Cc1cc(CN(C)Cc2nc3cc(N)ccc3o2)no1.
What is the InChIKey of 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine?
The InChIKey is GCTWEXKGCSXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-5-11(17-20-9)7-18(2)8-14-16-12-6-10(15)3-4-13(12)19-14/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine?
2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine has a molecular weight of 272.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79964561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).