4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole

C16H20N2O — CID 53009622

IUPAC4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-12-16(13(2)19-17-12)15-9-6-10-18(15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3
InChIKeySYBOPPSFGISSKD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.63
Rot. Bonds3

About 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole

4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 53009622) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID53009622
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C1CCCN1Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-12-16(13(2)19-17-12)15-9-6-10-18(15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3
InChIKeySYBOPPSFGISSKD-UHFFFAOYSA-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

N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 77080114
4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732569
3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 95124993
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
3,5-dimethyl-4-[(2R)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92732490
4-[(2S)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732091
5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
CID 50809373
4-[(2R)-1-(1,3-benzodioxol-4-ylmethyl)pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 95143216
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole (CID 53009622) is 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C1CCCN1Cc1ccccc1.
What is the InChIKey of 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is SYBOPPSFGISSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-16(13(2)19-17-12)15-9-6-10-18(15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3.
What are the key properties of 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole?
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-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 4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 53009622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).