(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine

C19H25FN4O2 — CID 128976408

IUPAC(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H25FN4O2/c1-23-6-5-21-19(23)18-16(4-9-26-18)22-13-14-2-3-17(15(20)12-14)24-7-10-25-11-8-24/h2-3,5-6,12,16,18,22H,4,7-11,13H2,1H3/t16-,18-/m0/s1
InChIKeyQSXSYTDDHIHWTO-WMZOPIPTSA-N
MW360.43 g/mol
LogP2.02
Rot. Bonds5

About (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine

(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine (PubChem CID 128976408) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
PubChem CID128976408
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H25FN4O2/c1-23-6-5-21-19(23)18-16(4-9-26-18)22-13-14-2-3-17(15(20)12-14)24-7-10-25-11-8-24/h2-3,5-6,12,16,18,22H,4,7-11,13H2,1H3/t16-,18-/m0/s1
InChIKeyQSXSYTDDHIHWTO-WMZOPIPTSA-N
XLogP2.02
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129007096
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine
CID 128976647
(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129001372
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005002
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
(2S,3S)-N-[(2-bromo-5-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128993709
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine
CID 128976671
(2S,3S)-N-(2H-chromen-3-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 167859869
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976445
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379
(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976373

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine (CID 128976408) is (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine is Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The InChIKey is QSXSYTDDHIHWTO-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-23-6-5-21-19(23)18-16(4-9-26-18)22-13-14-2-3-17(15(20)12-14)24-7-10-25-11-8-24/h2-3,5-6,12,16,18,22H,4,7-11,13H2,1H3/t16-,18-/m0/s1.
What are the key properties of (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine has a molecular weight of 360.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 128976408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).