(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine

C16H22N4O — CID 128976336

IUPAC(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C)cn1
InChIInChI=1S/C16H22N4O/c1-3-20-8-7-17-16(20)15-14(6-9-21-15)19-11-13-5-4-12(2)10-18-13/h4-5,7-8,10,14-15,19H,3,6,9,11H2,1-2H3/t14-,15-/m0/s1
InChIKeyXGEKTANPFYIKMF-GJZGRUSLSA-N
MW286.38 g/mol
LogP2.23
Rot. Bonds5

About (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine (PubChem CID 128976336) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
PubChem CID128976336
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C)cn1
InChIInChI=1S/C16H22N4O/c1-3-20-8-7-17-16(20)15-14(6-9-21-15)19-11-13-5-4-12(2)10-18-13/h4-5,7-8,10,14-15,19H,3,6,9,11H2,1-2H3/t14-,15-/m0/s1
InChIKeyXGEKTANPFYIKMF-GJZGRUSLSA-N
XLogP2.23
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 128976628
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 128967905
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine
CID 128971761
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128993767
[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol
CID 128970916
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(4-methylsulfinylphenyl)methyl]oxolan-3-amine
CID 128976649
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
CID 129333898
(2S,3S)-N-[(2-bromo-4-fluorophenyl)methyl]-2-(1-ethylimidazol-2-yl)oxolan-3-amine
CID 128976477
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine
CID 129400618
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819
(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 97336740
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
CID 128986179

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine (CID 128976336) is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine is CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C)cn1.
What is the InChIKey of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine?
The InChIKey is XGEKTANPFYIKMF-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-20-8-7-17-16(20)15-14(6-9-21-15)19-11-13-5-4-12(2)10-18-13/h4-5,7-8,10,14-15,19H,3,6,9,11H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine?
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.23, 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-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine is sourced from PubChem (CID 128976336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).