[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

C20H20ClN3O4 — CID 155911109

IUPAC[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O4/c21-16-4-2-1-3-15(16)19-18(12-25)27-10-9-24(19)20(26)17-6-5-14(28-17)11-23-8-7-22-13-23/h1-8,13,18-19,25H,9-12H2/t18-,19-/m0/s1
InChIKeyARTXJMAZWCPLPO-OALUTQOASA-N
MW401.85 g/mol
LogP2.75
Rot. Bonds5

About [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (PubChem CID 155911109) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
PubChem CID155911109
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O4/c21-16-4-2-1-3-15(16)19-18(12-25)27-10-9-24(19)20(26)17-6-5-14(28-17)11-23-8-7-22-13-23/h1-8,13,18-19,25H,9-12H2/t18-,19-/m0/s1
InChIKeyARTXJMAZWCPLPO-OALUTQOASA-N
XLogP2.75
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone 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

4-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]morpholine-2-carboxylic acid
CID 56894255
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1,2-dimethylpyrrol-3-yl)methanone
CID 155915720
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 155919651
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 155498562
[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56879395
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 155496867
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 157018822
[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70763384
6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid
CID 155972217
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 118761331
1-[10-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]ethanone
CID 133068622
5-(imidazol-1-ylmethyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 118795926

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (CID 155911109) is [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is O=C(c1ccc(Cn2ccnc2)o1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl.
What is the InChIKey of [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is ARTXJMAZWCPLPO-OALUTQOASA-N. The full InChI is InChI=1S/C20H20ClN3O4/c21-16-4-2-1-3-15(16)19-18(12-25)27-10-9-24(19)20(26)17-6-5-14(28-17)11-23-8-7-22-13-23/h1-8,13,18-19,25H,9-12H2/t18-,19-/m0/s1.
What are the key properties of [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 401.85 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 155911109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).