(3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol

C12H21N3O3 — CID 77094679

IUPAC(3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol
SMILESCOCCn1ccnc1CN(C)[C@H]1COC[C@@H]1O
InChIInChI=1S/C12H21N3O3/c1-14(10-8-18-9-11(10)16)7-12-13-3-4-15(12)5-6-17-2/h3-4,10-11,16H,5-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyGBSFCMNADDSVOG-QWRGUYRKSA-N
MW255.32 g/mol
LogP-0.28
Rot. Bonds6

About (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol

(3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol (PubChem CID 77094679) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol
PubChem CID77094679
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol
SMILESCOCCn1ccnc1CN(C)[C@H]1COC[C@@H]1O
InChIInChI=1S/C12H21N3O3/c1-14(10-8-18-9-11(10)16)7-12-13-3-4-15(12)5-6-17-2/h3-4,10-11,16H,5-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyGBSFCMNADDSVOG-QWRGUYRKSA-N
XLogP-0.28
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol (CID 77094679) is (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol is COCCn1ccnc1CN(C)[C@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol?
The InChIKey is GBSFCMNADDSVOG-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-14(10-8-18-9-11(10)16)7-12-13-3-4-15(12)5-6-17-2/h3-4,10-11,16H,5-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol?
(3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol has a molecular weight of 255.32 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-ol is sourced from PubChem (CID 77094679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).