4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol

C14H23N3O3 — CID 125025974

IUPAC4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol
SMILESCc1cnc([C@H]2COCCN2CC2(O)CCOCC2)[nH]1
InChIInChI=1S/C14H23N3O3/c1-11-8-15-13(16-11)12-9-20-7-4-17(12)10-14(18)2-5-19-6-3-14/h8,12,18H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyZQIMDYKYFKGRCT-GFCCVEGCSA-N
MW281.36 g/mol
LogP0.63
Rot. Bonds3

About 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol

4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol (PubChem CID 125025974) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol
PubChem CID125025974
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol
SMILESCc1cnc([C@H]2COCCN2CC2(O)CCOCC2)[nH]1
InChIInChI=1S/C14H23N3O3/c1-11-8-15-13(16-11)12-9-20-7-4-17(12)10-14(18)2-5-19-6-3-14/h8,12,18H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyZQIMDYKYFKGRCT-GFCCVEGCSA-N
XLogP0.63
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124943790
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-(naphthalen-1-ylmethyl)morpholine
CID 124963811
3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 110105489
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
CID 110105436
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125021783
4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105450
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124983270
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 124990900
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
CID 125018734
1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 124946055

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol (CID 125025974) is 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol is Cc1cnc([C@H]2COCCN2CC2(O)CCOCC2)[nH]1.
What is the InChIKey of 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol?
The InChIKey is ZQIMDYKYFKGRCT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11-8-15-13(16-11)12-9-20-7-4-17(12)10-14(18)2-5-19-6-3-14/h8,12,18H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol?
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol has a molecular weight of 281.36 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol is sourced from PubChem (CID 125025974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).