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

C14H15BrN2O — CID 115053950

IUPAC4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
SMILESBrc1ccccc1-c1cnoc1C1CCNCC1
InChIInChI=1S/C14H15BrN2O/c15-13-4-2-1-3-11(13)12-9-17-18-14(12)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2
InChIKeyYVKOIZVUDPCYPI-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.57
Rot. Bonds2

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

4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole (PubChem CID 115053950) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
PubChem CID115053950
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
SMILESBrc1ccccc1-c1cnoc1C1CCNCC1
InChIInChI=1S/C14H15BrN2O/c15-13-4-2-1-3-11(13)12-9-17-18-14(12)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2
InChIKeyYVKOIZVUDPCYPI-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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Related Compounds

4-(2-methoxyphenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115003498
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol
CID 115053947
4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003871
4-cyclopentyl-5-piperidin-4-yl-1,2-oxazole
CID 115032274
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 115036740
4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82408859
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine
CID 84609955

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole?
The IUPAC name of 4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole (CID 115053950) is 4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole.
What is the SMILES notation for 4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole?
The canonical SMILES for 4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole is Brc1ccccc1-c1cnoc1C1CCNCC1.
What is the InChIKey of 4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole?
The InChIKey is YVKOIZVUDPCYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-13-4-2-1-3-11(13)12-9-17-18-14(12)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2.
What are the key properties of 4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole?
4-(2-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-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole is sourced from PubChem (CID 115053950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).