[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone

C15H24N4O2 — CID 110197184

IUPAC[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2nccn2C)C1
InChIInChI=1S/C15H24N4O2/c1-3-19(12-4-8-21-9-5-12)13-10-18(11-13)15(20)14-16-6-7-17(14)2/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyQTICLXSZIUGPBL-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.75
Rot. Bonds4

About [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone

[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 110197184) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID110197184
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCN(C1CCOCC1)C1CN(C(=O)c2nccn2C)C1
InChIInChI=1S/C15H24N4O2/c1-3-19(12-4-8-21-9-5-12)13-10-18(11-13)15(20)14-16-6-7-17(14)2/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKeyQTICLXSZIUGPBL-UHFFFAOYSA-N
XLogP0.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53561047
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 53571257
2-(2-isopropyl-1H-imidazol-1-yl)-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 72858484
(2S)-N-methyl-2-(2-methylimidazol-1-yl)-N-(4-morpholin-4-ylbutyl)propanamide
CID 100068024
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-2-yl)carbonyl]piperidine
CID 118763011
4-[(2-ethyl-1H-imidazol-1-yl)acetyl]-3-propylmorpholine
CID 56869890
4-(2-methyl-1H-imidazol-1-yl)-N-[(1S*,2R*)-2-(tetrahydro-2H-pyran-4-ylamino)cyclobutyl]butanamide
CID 56901387
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]acetamide
CID 91914897
(1-Methylimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916384
2-Methyl-1-(oxan-4-yl)imidazole
CID 63937536

Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 110197184) is [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone is CCN(C1CCOCC1)C1CN(C(=O)c2nccn2C)C1.
What is the InChIKey of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is QTICLXSZIUGPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19(12-4-8-21-9-5-12)13-10-18(11-13)15(20)14-16-6-7-17(14)2/h6-7,12-13H,3-5,8-11H2,1-2H3.
What are the key properties of [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 110197184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).