5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C18H23FN2O — CID 51964314

IUPAC5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCC[C@H]2c2cccc(F)c2)o1
InChIInChI=1S/C18H23FN2O/c1-18(2,3)16-11-20-17(22-16)12-21-9-5-8-15(21)13-6-4-7-14(19)10-13/h4,6-7,10-11,15H,5,8-9,12H2,1-3H3/t15-/m0/s1
InChIKeyVCDLJMQSUVYEKA-HNNXBMFYSA-N
MW302.39 g/mol
LogP4.45
Rot. Bonds3

About 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole

5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 51964314) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID51964314
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(CN2CCC[C@H]2c2cccc(F)c2)o1
InChIInChI=1S/C18H23FN2O/c1-18(2,3)16-11-20-17(22-16)12-21-9-5-8-15(21)13-6-4-7-14(19)10-13/h4,6-7,10-11,15H,5,8-9,12H2,1-3H3/t15-/m0/s1
InChIKeyVCDLJMQSUVYEKA-HNNXBMFYSA-N
XLogP4.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 51964314) is 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is CC(C)(C)c1cnc(CN2CCC[C@H]2c2cccc(F)c2)o1.
What is the InChIKey of 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is VCDLJMQSUVYEKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-18(2,3)16-11-20-17(22-16)12-21-9-5-8-15(21)13-6-4-7-14(19)10-13/h4,6-7,10-11,15H,5,8-9,12H2,1-3H3/t15-/m0/s1.
What are the key properties of 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 302.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 51964314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).