[2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone

C19H17FN2O2 — CID 24794016

IUPAC[2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CCCC1
InChIInChI=1S/C19H17FN2O2/c20-15-6-2-1-5-13(15)12-18-21-16-8-7-14(11-17(16)24-18)19(23)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyCXWKZOYGNSXIKL-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.79
Rot. Bonds3

About [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone

[2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24794016) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID24794016
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name[2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CCCC1
InChIInChI=1S/C19H17FN2O2/c20-15-6-2-1-5-13(15)12-18-21-16-8-7-14(11-17(16)24-18)19(23)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyCXWKZOYGNSXIKL-UHFFFAOYSA-N
XLogP3.79
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone (CID 24794016) is [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CCCC1.
What is the InChIKey of [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CXWKZOYGNSXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-15-6-2-1-5-13(15)12-18-21-16-8-7-14(11-17(16)24-18)19(23)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2.
What are the key properties of [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone?
[2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 324.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24794016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).