4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole

C14H15BrN2O — CID 115053948

IUPAC4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
SMILESBrc1cccc(-c2cnoc2C2CCNCC2)c1
InChIInChI=1S/C14H15BrN2O/c15-12-3-1-2-11(8-12)13-9-17-18-14(13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2
InChIKeyFYXMYSDUJUOVOF-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.57
Rot. Bonds2

About 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole

4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole (PubChem CID 115053948) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
PubChem CID115053948
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
SMILESBrc1cccc(-c2cnoc2C2CCNCC2)c1
InChIInChI=1S/C14H15BrN2O/c15-12-3-1-2-11(8-12)13-9-17-18-14(13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2
InChIKeyFYXMYSDUJUOVOF-UHFFFAOYSA-N
XLogP3.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole?
The IUPAC name of 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole (CID 115053948) is 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole.
What is the SMILES notation for 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole?
The canonical SMILES for 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole is Brc1cccc(-c2cnoc2C2CCNCC2)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole?
The InChIKey is FYXMYSDUJUOVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-12-3-1-2-11(8-12)13-9-17-18-14(13)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2.
What are the key properties of 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole?
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole has a molecular weight of 307.19 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole is sourced from PubChem (CID 115053948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).