N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine

C13H25N3O2 — CID 113409299

IUPACN-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C13H25N3O2/c1-11(2)13-9-12(15-18-13)10-16(3)7-5-14-6-8-17-4/h9,11,14H,5-8,10H2,1-4H3
InChIKeyOXVZSCRWRHTALM-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.47
Rot. Bonds9

About N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 113409299) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID113409299
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C13H25N3O2/c1-11(2)13-9-12(15-18-13)10-16(3)7-5-14-6-8-17-4/h9,11,14H,5-8,10H2,1-4H3
InChIKeyOXVZSCRWRHTALM-UHFFFAOYSA-N
XLogP1.47
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine 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

N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
N-(2-methoxyethyl)-N'-methyl-N'-(quinoxalin-2-ylmethyl)ethane-1,2-diamine
CID 107355866
N'-(1-cyclopropylethyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62575474
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
N'-[(4-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 54989593
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 63009567
N'-[(3-bromo-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104851463
N'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 113409328
(3S)-3-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]butanoic acid
CID 126443920
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140120
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103173267

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine (CID 113409299) is N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine is COCCNCCN(C)Cc1cc(C(C)C)on1.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is OXVZSCRWRHTALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)13-9-12(15-18-13)10-16(3)7-5-14-6-8-17-4/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 255.36 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 113409299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).