3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide

C12H20N4O2 — CID 114719199

IUPAC3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1cncc1C(N)C1CCOC1
InChIInChI=1S/C12H20N4O2/c1-14-11(17)2-4-16-8-15-6-10(16)12(13)9-3-5-18-7-9/h6,8-9,12H,2-5,7,13H2,1H3,(H,14,17)
InChIKeyMFLNNOUCGIFBPC-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.06
Rot. Bonds5

About 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide

3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide (PubChem CID 114719199) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
PubChem CID114719199
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1cncc1C(N)C1CCOC1
InChIInChI=1S/C12H20N4O2/c1-14-11(17)2-4-16-8-15-6-10(16)12(13)9-3-5-18-7-9/h6,8-9,12H,2-5,7,13H2,1H3,(H,14,17)
InChIKeyMFLNNOUCGIFBPC-UHFFFAOYSA-N
XLogP0.06
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide 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

[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 102909124
oxolan-3-yl-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]methanamine
CID 114721830
[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720232
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
CID 114705066
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718953
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106410300

Frequently Asked Questions

What is the IUPAC name of 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide (CID 114719199) is 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1cncc1C(N)C1CCOC1.
What is the InChIKey of 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide?
The InChIKey is MFLNNOUCGIFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-14-11(17)2-4-16-8-15-6-10(16)12(13)9-3-5-18-7-9/h6,8-9,12H,2-5,7,13H2,1H3,(H,14,17).
What are the key properties of 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide?
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 114719199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).