[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone

C22H19FN4O2 — CID 9120508

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H19FN4O2/c23-16-5-7-17(8-6-16)27-14-24-13-19(27)22(28)26-11-9-15(10-12-26)21-25-18-3-1-2-4-20(18)29-21/h1-8,13-15H,9-12H2
InChIKeyYSPGMUBLRFYCMF-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.17
Rot. Bonds3

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone (PubChem CID 9120508) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone
PubChem CID9120508
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H19FN4O2/c23-16-5-7-17(8-6-16)27-14-24-13-19(27)22(28)26-11-9-15(10-12-26)21-25-18-3-1-2-4-20(18)29-21/h1-8,13-15H,9-12H2
InChIKeyYSPGMUBLRFYCMF-UHFFFAOYSA-N
XLogP4.17
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone (CID 9120508) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone is O=C(c1cncn1-c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The InChIKey is YSPGMUBLRFYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-16-5-7-17(8-6-16)27-14-24-13-19(27)22(28)26-11-9-15(10-12-26)21-25-18-3-1-2-4-20(18)29-21/h1-8,13-15H,9-12H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone has a molecular weight of 390.42 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone is sourced from PubChem (CID 9120508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).