cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol

C17H22N2O3 — CID 125418879

IUPACcis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1[C@H]1COCCN1c1nc2ccccc2o1
InChIInChI=1S/C17H22N2O3/c20-15-7-3-1-5-12(15)14-11-21-10-9-19(14)17-18-13-6-2-4-8-16(13)22-17/h2,4,6,8,12,14-15,20H,1,3,5,7,9-11H2/t12-,14-,15-/m1/s1
InChIKeyGGYFOSBFZYEGHC-BPLDGKMQSA-N
MW302.37 g/mol
LogP2.58
Rot. Bonds2

About cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol

cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol (PubChem CID 125418879) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol
PubChem CID125418879
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namecis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1[C@H]1COCCN1c1nc2ccccc2o1
InChIInChI=1S/C17H22N2O3/c20-15-7-3-1-5-12(15)14-11-21-10-9-19(14)17-18-13-6-2-4-8-16(13)22-17/h2,4,6,8,12,14-15,20H,1,3,5,7,9-11H2/t12-,14-,15-/m1/s1
InChIKeyGGYFOSBFZYEGHC-BPLDGKMQSA-N
XLogP2.58
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol with MolForge

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Related Compounds

[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
2-[4-[(2-methylquinolin-4-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167833631
2-[4-[(4-methylquinazolin-2-yl)methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128985818
1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
cis-(1R,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423837
cis-(1S,2S)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423839
2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 126815933
trans-(1S,2R)-2-[(3S)-4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
CID 125423838
2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-benzoxazole
CID 112748225
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
1-[4-(5-fluoro-1,3-benzoxazol-2-yl)morpholin-3-yl]propan-2-ol
CID 133476040

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol (CID 125418879) is cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1[C@H]1COCCN1c1nc2ccccc2o1.
What is the InChIKey of cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol?
The InChIKey is GGYFOSBFZYEGHC-BPLDGKMQSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15-7-3-1-5-12(15)14-11-21-10-9-19(14)17-18-13-6-2-4-8-16(13)22-17/h2,4,6,8,12,14-15,20H,1,3,5,7,9-11H2/t12-,14-,15-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol?
cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol has a molecular weight of 302.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(3S)-4-(1,3-benzoxazol-2-yl)morpholin-3-yl]cyclohexan-1-ol is sourced from PubChem (CID 125418879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).