1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone

C22H22N2O2 — CID 46704726

IUPAC1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccno1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H22N2O2/c25-22(21-10-13-23-26-21)24-14-11-18(12-15-24)16-17-6-8-20(9-7-17)19-4-2-1-3-5-19/h1-10,13,18H,11-12,14-16H2
InChIKeyBNUNXIUXOASPEX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.44
Rot. Bonds4

About 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone

1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 46704726) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone
PubChem CID46704726
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccno1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H22N2O2/c25-22(21-10-13-23-26-21)24-14-11-18(12-15-24)16-17-6-8-20(9-7-17)19-4-2-1-3-5-19/h1-10,13,18H,11-12,14-16H2
InChIKeyBNUNXIUXOASPEX-UHFFFAOYSA-N
XLogP4.44
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone (CID 46704726) is 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone is O=C(c1ccno1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is BNUNXIUXOASPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(21-10-13-23-26-21)24-14-11-18(12-15-24)16-17-6-8-20(9-7-17)19-4-2-1-3-5-19/h1-10,13,18H,11-12,14-16H2.
What are the key properties of 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone?
1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46704726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).