(2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

C20H25FN2O3 — CID 75536267

IUPAC(2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESO[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCC1CC1
InChIInChI=1S/C20H25FN2O3/c21-15-5-3-14(4-6-15)19-10-16(23-26-19)9-17-7-8-18(24)20(25-17)12-22-11-13-1-2-13/h3-6,10,13,17-18,20,22,24H,1-2,7-9,11-12H2/t17-,18-,20+/m0/s1
InChIKeyCLKDDOJGSFAXNU-CMKODMSKSA-N
MW360.43 g/mol
LogP2.93
Rot. Bonds7

About (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

(2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (PubChem CID 75536267) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
PubChem CID75536267
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name(2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESO[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCC1CC1
InChIInChI=1S/C20H25FN2O3/c21-15-5-3-14(4-6-15)19-10-16(23-26-19)9-17-7-8-18(24)20(25-17)12-22-11-13-1-2-13/h3-6,10,13,17-18,20,22,24H,1-2,7-9,11-12H2/t17-,18-,20+/m0/s1
InChIKeyCLKDDOJGSFAXNU-CMKODMSKSA-N
XLogP2.93
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol with MolForge

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Related Compounds

3-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methylamino]propane-1,2-diol
CID 162790033
N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]propanamide
CID 75536244
N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide
CID 162877392
N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-3,3-dimethylbutanamide
CID 162789725
6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 162800550
(2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
CID 75536316
2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide
CID 75366962
2-[(1H-indol-3-ylmethylamino)methyl]-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 162806642
1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea
CID 162798652
(2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 75367015
1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 162789688
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide
CID 75367017

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (CID 75536267) is (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCC1CC1.
What is the InChIKey of (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The InChIKey is CLKDDOJGSFAXNU-CMKODMSKSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-15-5-3-14(4-6-15)19-10-16(23-26-19)9-17-7-8-18(24)20(25-17)12-22-11-13-1-2-13/h3-6,10,13,17-18,20,22,24H,1-2,7-9,11-12H2/t17-,18-,20+/m0/s1.
What are the key properties of (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
(2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol has a molecular weight of 360.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is sourced from PubChem (CID 75536267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).