4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole

C14H16N2O — CID 90058028

IUPAC4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
SMILESc1ccc(Cc2coc([C@@H]3CCCN3)n2)cc1
InChIInChI=1S/C14H16N2O/c1-2-5-11(6-3-1)9-12-10-17-14(16-12)13-7-4-8-15-13/h1-3,5-6,10,13,15H,4,7-9H2/t13-/m0/s1
InChIKeyDQQHTLXYZKIWFT-ZDUSSCGKSA-N
MW228.30 g/mol
LogP2.69
Rot. Bonds3

About 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole

4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole (PubChem CID 90058028) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
PubChem CID90058028
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
SMILESc1ccc(Cc2coc([C@@H]3CCCN3)n2)cc1
InChIInChI=1S/C14H16N2O/c1-2-5-11(6-3-1)9-12-10-17-14(16-12)13-7-4-8-15-13/h1-3,5-6,10,13,15H,4,7-9H2/t13-/m0/s1
InChIKeyDQQHTLXYZKIWFT-ZDUSSCGKSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2-piperidin-3-yl-1,3-oxazole
CID 115044768
4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 115036792
2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanol
CID 115082913
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
N-methyl-2-(2-piperidin-2-yl-1,3-oxazol-4-yl)ethanamine
CID 115082989
2-benzyl-5-pyrrolidin-2-ylpyrazine
CID 73440172
3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine
CID 59028677
1-(2-piperidin-2-yl-1,3-oxazol-4-yl)propan-2-one
CID 115082929
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
4-propan-2-yl-2-pyrrolidin-2-yl-1,3-oxazole
CID 86276569
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3771092
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The IUPAC name of 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole (CID 90058028) is 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole is c1ccc(Cc2coc([C@@H]3CCCN3)n2)cc1.
What is the InChIKey of 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
The InChIKey is DQQHTLXYZKIWFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-5-11(6-3-1)9-12-10-17-14(16-12)13-7-4-8-15-13/h1-3,5-6,10,13,15H,4,7-9H2/t13-/m0/s1.
What are the key properties of 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole?
4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole has a molecular weight of 228.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 90058028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).