[4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone

C11H17N3O2 — CID 116587952

IUPAC[4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCNC1COCC1C(=O)c1nccn1C
InChIInChI=1S/C11H17N3O2/c1-3-12-9-7-16-6-8(9)10(15)11-13-4-5-14(11)2/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyPMPAYMRXZPGKGR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.23
Rot. Bonds4

About [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone

[4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 116587952) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID116587952
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCCNC1COCC1C(=O)c1nccn1C
InChIInChI=1S/C11H17N3O2/c1-3-12-9-7-16-6-8(9)10(15)11-13-4-5-14(11)2/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyPMPAYMRXZPGKGR-UHFFFAOYSA-N
XLogP0.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 112744696
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
4-(ethylamino)-N-pyrrol-1-yloxolane-3-carboxamide
CID 79100760
formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
CID 154911071
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide
CID 66258699
N-(2,5-dimethylpyrazol-3-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258072
cycloocten-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 106655497
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 106105001
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588194
(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
CID 116588175
N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 79100449

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone (CID 116587952) is [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone is CCNC1COCC1C(=O)c1nccn1C.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is PMPAYMRXZPGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-12-9-7-16-6-8(9)10(15)11-13-4-5-14(11)2/h4-5,8-9,12H,3,6-7H2,1-2H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone?
[4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 116587952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).