4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole

C14H16N2O — CID 115036792

IUPAC4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
SMILESc1ccc(Cc2coc(C3CCNC3)n2)cc1
InChIInChI=1S/C14H16N2O/c1-2-4-11(5-3-1)8-13-10-17-14(16-13)12-6-7-15-9-12/h1-5,10,12,15H,6-9H2
InChIKeyYXDRAPISJDMRTN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.34
Rot. Bonds3

About 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole

4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole (PubChem CID 115036792) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
PubChem CID115036792
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole
SMILESc1ccc(Cc2coc(C3CCNC3)n2)cc1
InChIInChI=1S/C14H16N2O/c1-2-4-11(5-3-1)8-13-10-17-14(16-13)12-6-7-15-9-12/h1-5,10,12,15H,6-9H2
InChIKeyYXDRAPISJDMRTN-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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-(fluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84765750
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)ethanamine
CID 115082091
4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 90058028
3-(4-benzyl-1,3-oxazol-2-yl)cyclopentan-1-amine
CID 59028677
2-(2-pyrrolidin-3-yl-1,3-oxazol-4-yl)acetaldehyde
CID 115082035
4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 115036740
2-benzyl-6-[(3R)-piperidin-3-yl]pyridine
CID 95808751
N-benzyl-5-(2-piperidin-3-yl-1,3-oxazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 134085508
4-(difluoromethyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84770649
4-(oxan-4-yl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115033401
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 105490713

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole?
The IUPAC name of 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole (CID 115036792) is 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole is c1ccc(Cc2coc(C3CCNC3)n2)cc1.
What is the InChIKey of 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole?
The InChIKey is YXDRAPISJDMRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-4-11(5-3-1)8-13-10-17-14(16-13)12-6-7-15-9-12/h1-5,10,12,15H,6-9H2.
What are the key properties of 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole?
4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole has a molecular weight of 228.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-pyrrolidin-3-yl-1,3-oxazole is sourced from PubChem (CID 115036792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).