(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine

C19H25N3O2 — CID 97147443

IUPAC(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
SMILESCc1ncc(CN2CCO[C@H]([C@@H]3CCCO3)C2)n1-c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15-20-12-17(22(15)16-6-3-2-4-7-16)13-21-9-11-24-19(14-21)18-8-5-10-23-18/h2-4,6-7,12,18-19H,5,8-11,13-14H2,1H3/t18-,19-/m0/s1
InChIKeyYHHCEXYAOPMXCK-OALUTQOASA-N
MW327.43 g/mol
LogP2.56
Rot. Bonds4

About (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine

(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine (PubChem CID 97147443) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
PubChem CID97147443
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
SMILESCc1ncc(CN2CCO[C@H]([C@@H]3CCCO3)C2)n1-c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15-20-12-17(22(15)16-6-3-2-4-7-16)13-21-9-11-24-19(14-21)18-8-5-10-23-18/h2-4,6-7,12,18-19H,5,8-11,13-14H2,1H3/t18-,19-/m0/s1
InChIKeyYHHCEXYAOPMXCK-OALUTQOASA-N
XLogP2.56
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol
CID 75514974
(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 97158539
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
CID 126816677
(2R)-4-[(2-morpholin-4-ylphenyl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 97147456
1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine
CID 75438529
5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 122125379
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832541
(2R)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832542
4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
CID 45245084
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]oxan-4-amine
CID 103887886
(2R)-4-[(2-chloro-5-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 124830182

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine?
The IUPAC name of (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine (CID 97147443) is (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine.
What is the SMILES notation for (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine?
The canonical SMILES for (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine is Cc1ncc(CN2CCO[C@H]([C@@H]3CCCO3)C2)n1-c1ccccc1.
What is the InChIKey of (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine?
The InChIKey is YHHCEXYAOPMXCK-OALUTQOASA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-20-12-17(22(15)16-6-3-2-4-7-16)13-21-9-11-24-19(14-21)18-8-5-10-23-18/h2-4,6-7,12,18-19H,5,8-11,13-14H2,1H3/t18-,19-/m0/s1.
What are the key properties of (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine?
(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine has a molecular weight of 327.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine is sourced from PubChem (CID 97147443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).