(2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol

C22H30N2O3 — CID 75536316

IUPAC(2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
SMILESO[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCCCC1
InChIInChI=1S/C22H30N2O3/c25-20-12-11-19(26-22(20)15-23-17-9-5-2-6-10-17)13-18-14-21(27-24-18)16-7-3-1-4-8-16/h1,3-4,7-8,14,17,19-20,22-23,25H,2,5-6,9-13,15H2/t19-,20-,22+/m0/s1
InChIKeyRMCDARNYWLHGGW-JAXLGGSGSA-N
MW370.49 g/mol
LogP3.71
Rot. Bonds6

About (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol

(2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol (PubChem CID 75536316) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
PubChem CID75536316
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
SMILESO[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCCCC1
InChIInChI=1S/C22H30N2O3/c25-20-12-11-19(26-22(20)15-23-17-9-5-2-6-10-17)13-18-14-21(27-24-18)16-7-3-1-4-8-16/h1,3-4,7-8,14,17,19-20,22-23,25H,2,5-6,9-13,15H2/t19-,20-,22+/m0/s1
InChIKeyRMCDARNYWLHGGW-JAXLGGSGSA-N
XLogP3.71
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea
CID 162798652
2-fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]benzamide
CID 75366962
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624
(2R,3S,6S)-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 75367015
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
1-[4-[[3-hydroxy-6-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
CID 162878395
(2R,3S,6S)-2-[(cyclopropylmethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75536267
N-[[6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]cyclopentanecarboxamide
CID 162877392
N-[[3-hydroxy-6-[[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]benzenesulfonamide
CID 163099149
6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 162800550
1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 162789688
1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(2-methoxyphenyl)-1-[(2-methoxyphenyl)carbamoyl]urea
CID 162796727

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol (CID 75536316) is (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol is O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNC1CCCCC1.
What is the InChIKey of (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The InChIKey is RMCDARNYWLHGGW-JAXLGGSGSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-20-12-11-19(26-22(20)15-23-17-9-5-2-6-10-17)13-18-14-21(27-24-18)16-7-3-1-4-8-16/h1,3-4,7-8,14,17,19-20,22-23,25H,2,5-6,9-13,15H2/t19-,20-,22+/m0/s1.
What are the key properties of (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
(2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol has a molecular weight of 370.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[(cyclohexylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol is sourced from PubChem (CID 75536316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).