2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide

C12H16N4O2 — CID 116849128

IUPAC2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
SMILESCc1nc2cc(CC(N)C(=O)N(C)N)ccc2o1
InChIInChI=1S/C12H16N4O2/c1-7-15-10-6-8(3-4-11(10)18-7)5-9(13)12(17)16(2)14/h3-4,6,9H,5,13-14H2,1-2H3
InChIKeyNVUAQKVXNIHQHY-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.34
Rot. Bonds3

About 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide

2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide (PubChem CID 116849128) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide.

Molecular Properties

Compound Name2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
PubChem CID116849128
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
SMILESCc1nc2cc(CC(N)C(=O)N(C)N)ccc2o1
InChIInChI=1S/C12H16N4O2/c1-7-15-10-6-8(3-4-11(10)18-7)5-9(13)12(17)16(2)14/h3-4,6,9H,5,13-14H2,1-2H3
InChIKeyNVUAQKVXNIHQHY-UHFFFAOYSA-N
XLogP0.34
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide 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-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 116850890
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 117042052
2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116849043
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 115152327
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide?
The IUPAC name of 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide (CID 116849128) is 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide.
What is the SMILES notation for 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide?
The canonical SMILES for 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide is Cc1nc2cc(CC(N)C(=O)N(C)N)ccc2o1.
What is the InChIKey of 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide?
The InChIKey is NVUAQKVXNIHQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-15-10-6-8(3-4-11(10)18-7)5-9(13)12(17)16(2)14/h3-4,6,9H,5,13-14H2,1-2H3.
What are the key properties of 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide?
2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide has a molecular weight of 248.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide is sourced from PubChem (CID 116849128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).