N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide

C12H18N6O2 — CID 66193137

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
SMILESCCCNCc1cn(CC(=O)Nc2cc(C)no2)nn1
InChIInChI=1S/C12H18N6O2/c1-3-4-13-6-10-7-18(17-15-10)8-11(19)14-12-5-9(2)16-20-12/h5,7,13H,3-4,6,8H2,1-2H3,(H,14,19)
InChIKeyLRKXTPKALJULIC-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.71
Rot. Bonds7

About N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide

N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66193137) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
PubChem CID66193137
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
SMILESCCCNCc1cn(CC(=O)Nc2cc(C)no2)nn1
InChIInChI=1S/C12H18N6O2/c1-3-4-13-6-10-7-18(17-15-10)8-11(19)14-12-5-9(2)16-20-12/h5,7,13H,3-4,6,8H2,1-2H3,(H,14,19)
InChIKeyLRKXTPKALJULIC-UHFFFAOYSA-N
XLogP0.71
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide 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-[4-(2-aminoethyl)triazol-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 116642275
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66193511
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66193488
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66192957
N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66194702
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
N-(3-chloro-4-methylphenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66194085
2-[4-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289567
3-[2-[4-(propylaminomethyl)triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 66193921
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
N,N-dimethyl-4-[4-(propylaminomethyl)triazol-1-yl]butanamide
CID 66193355

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide (CID 66193137) is N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide is CCCNCc1cn(CC(=O)Nc2cc(C)no2)nn1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is LRKXTPKALJULIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-4-13-6-10-7-18(17-15-10)8-11(19)14-12-5-9(2)16-20-12/h5,7,13H,3-4,6,8H2,1-2H3,(H,14,19).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide has a molecular weight of 278.32 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66193137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).