2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole

C18H24N2O3 — CID 154745361

IUPAC2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
SMILESCOC[C@@H]1C[C@@H](OC)CN1Cc1ncc(-c2ccccc2C)o1
InChIInChI=1S/C18H24N2O3/c1-13-6-4-5-7-16(13)17-9-19-18(23-17)11-20-10-15(22-3)8-14(20)12-21-2/h4-7,9,14-15H,8,10-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyDETUDZILMZXWLK-LSDHHAIUSA-N
MW316.40 g/mol
LogP2.89
Rot. Bonds6

About 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole

2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole (PubChem CID 154745361) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
PubChem CID154745361
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
SMILESCOC[C@@H]1C[C@@H](OC)CN1Cc1ncc(-c2ccccc2C)o1
InChIInChI=1S/C18H24N2O3/c1-13-6-4-5-7-16(13)17-9-19-18(23-17)11-20-10-15(22-3)8-14(20)12-21-2/h4-7,9,14-15H,8,10-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyDETUDZILMZXWLK-LSDHHAIUSA-N
XLogP2.89
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 128982322
2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
CID 167776096
2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
CID 167865720
3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 167919502
(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129483204
2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
CID 115036776
3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole
CID 128981046
5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 128982309
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methyl-N-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]methanamine
CID 128984532
2-[2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpropanenitrile
CID 128982302
4-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-methoxyphenyl)-1H-pyrazole
CID 128978591
[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963568

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole (CID 154745361) is 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole is COC[C@@H]1C[C@@H](OC)CN1Cc1ncc(-c2ccccc2C)o1.
What is the InChIKey of 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole?
The InChIKey is DETUDZILMZXWLK-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-6-4-5-7-16(13)17-9-19-18(23-17)11-20-10-15(22-3)8-14(20)12-21-2/h4-7,9,14-15H,8,10-12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole?
2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole has a molecular weight of 316.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 154745361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).