2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol

C16H21N3O3 — CID 71460848

IUPAC2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESCN1CCC[C@H]1COc1cncc(-c2cc(CCO)no2)c1
InChIInChI=1S/C16H21N3O3/c1-19-5-2-3-14(19)11-21-15-7-12(9-17-10-15)16-8-13(4-6-20)18-22-16/h7-10,14,20H,2-6,11H2,1H3/t14-/m0/s1
InChIKeyCEVPPNAINXEGSH-AWEZNQCLSA-N
MW303.36 g/mol
LogP1.74
Rot. Bonds6

About 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol

2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (PubChem CID 71460848) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
PubChem CID71460848
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol
SMILESCN1CCC[C@H]1COc1cncc(-c2cc(CCO)no2)c1
InChIInChI=1S/C16H21N3O3/c1-19-5-2-3-14(19)11-21-15-7-12(9-17-10-15)16-8-13(4-6-20)18-22-16/h7-10,14,20H,2-6,11H2,1H3/t14-/m0/s1
InChIKeyCEVPPNAINXEGSH-AWEZNQCLSA-N
XLogP1.74
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol with MolForge

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Related Compounds

3-Furan-2-yl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480239
(s)-2-(5-(5-(Azetidin-2-ylmethoxy)pyridin-3-yl)isoxazol-3-yl)ethan-1-ol
CID 46191426
[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]methanol;hydrochloride
CID 56595438
3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]propan-1-ol;hydrochloride
CID 56595309
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol;hydrochloride
CID 56595564
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3-fluoropropyl)-1,2-oxazole
CID 71450042
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
CID 71453717
5-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]-3-(3,3-difluoropropyl)-1,2-oxazole
CID 71455410
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-ethyl-1,2-oxazole
CID 71455447
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
CID 71457187
5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole
CID 71460892
trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155009485

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The IUPAC name of 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol (CID 71460848) is 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is CN1CCC[C@H]1COc1cncc(-c2cc(CCO)no2)c1.
What is the InChIKey of 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
The InChIKey is CEVPPNAINXEGSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-19-5-2-3-14(19)11-21-15-7-12(9-17-10-15)16-8-13(4-6-20)18-22-16/h7-10,14,20H,2-6,11H2,1H3/t14-/m0/s1.
What are the key properties of 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol?
2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol has a molecular weight of 303.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethanol is sourced from PubChem (CID 71460848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).