4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one

C19H19BrN2O2 — CID 11305878

IUPAC4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br
InChIInChI=1S/C19H19BrN2O2/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,13,21H,7-11H2,(H,22,23)
InChIKeyIJEBTMRUVIYYSA-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.94
Rot. Bonds3

About 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one

4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one (PubChem CID 11305878) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one
PubChem CID11305878
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br
InChIInChI=1S/C19H19BrN2O2/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,13,21H,7-11H2,(H,22,23)
InChIKeyIJEBTMRUVIYYSA-UHFFFAOYSA-N
XLogP3.94
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one?
The IUPAC name of 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one (CID 11305878) is 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one is O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br.
What is the InChIKey of 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one?
The InChIKey is IJEBTMRUVIYYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,13,21H,7-11H2,(H,22,23).
What are the key properties of 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one?
4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one has a molecular weight of 387.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-bromonaphthalen-2-yl)methyl]-5-piperidin-4-yl-1,2-oxazol-3-one is sourced from PubChem (CID 11305878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).