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

C16H20N2O — CID 94415401

IUPAC3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cccc(CN2CCC[C@@H]2c2cc(C)no2)c1
InChIInChI=1S/C16H20N2O/c1-12-5-3-6-14(9-12)11-18-8-4-7-15(18)16-10-13(2)17-19-16/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3/t15-/m1/s1
InChIKeyMRWIRYKAMJKMDW-OAHLLOKOSA-N
MW256.35 g/mol
LogP3.63
Rot. Bonds3

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

3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 94415401) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID94415401
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cccc(CN2CCC[C@@H]2c2cc(C)no2)c1
InChIInChI=1S/C16H20N2O/c1-12-5-3-6-14(9-12)11-18-8-4-7-15(18)16-10-13(2)17-19-16/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3/t15-/m1/s1
InChIKeyMRWIRYKAMJKMDW-OAHLLOKOSA-N
XLogP3.63
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
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3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
5-[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
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2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
5-[1-[(4-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 46952927
3-methyl-5-[(2S)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95056192
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360
3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole
CID 92561583
3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99957100
3-methyl-5-[5-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763208

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 94415401) is 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole is Cc1cccc(CN2CCC[C@@H]2c2cc(C)no2)c1.
What is the InChIKey of 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is MRWIRYKAMJKMDW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-3-6-14(9-12)11-18-8-4-7-15(18)16-10-13(2)17-19-16/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 256.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 94415401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).