(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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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).