(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine

C20H22N4O — CID 128976647

IUPAC(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C20H22N4O/c1-24-10-9-22-20(24)19-18(7-11-25-19)23-13-15-4-2-5-16(12-15)17-6-3-8-21-14-17/h2-6,8-10,12,14,18-19,23H,7,11,13H2,1H3/t18-,19-/m0/s1
InChIKeyLMTVPBGAIMHRKK-OALUTQOASA-N
MW334.42 g/mol
LogP3.10
Rot. Bonds5

About (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine

(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine (PubChem CID 128976647) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine
PubChem CID128976647
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C20H22N4O/c1-24-10-9-22-20(24)19-18(7-11-25-19)23-13-15-4-2-5-16(12-15)17-6-3-8-21-14-17/h2-6,8-10,12,14,18-19,23H,7,11,13H2,1H3/t18-,19-/m0/s1
InChIKeyLMTVPBGAIMHRKK-OALUTQOASA-N
XLogP3.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976408
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine
CID 128976671
(2S,3S)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128966874
(2S,3S)-N-(1H-indol-4-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128976373
(2S,3S)-N-(2H-chromen-3-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 167859869
(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 154794407
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976445
(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128970652
(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129001372
(2S,3S)-N-(1-benzothiophen-2-ylmethyl)-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128971716
1-[(1-methylimidazol-2-yl)methyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperazine
CID 75470884

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine (CID 128976647) is (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine is Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc(-c2cccnc2)c1.
What is the InChIKey of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine?
The InChIKey is LMTVPBGAIMHRKK-OALUTQOASA-N. The full InChI is InChI=1S/C20H22N4O/c1-24-10-9-22-20(24)19-18(7-11-25-19)23-13-15-4-2-5-16(12-15)17-6-3-8-21-14-17/h2-6,8-10,12,14,18-19,23H,7,11,13H2,1H3/t18-,19-/m0/s1.
What are the key properties of (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine?
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine has a molecular weight of 334.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-methylimidazol-2-yl)-N-[(3-pyridin-3-ylphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 128976647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).