N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide

C16H18BrN3O2 — CID 3846083

IUPACN-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1coc(C2CCCNC2)n1
InChIInChI=1S/C16H18BrN3O2/c17-13-5-1-3-11(7-13)8-19-15(21)14-10-22-16(20-14)12-4-2-6-18-9-12/h1,3,5,7,10,12,18H,2,4,6,8-9H2,(H,19,21)
InChIKeyLEXXUQVUXDRRAM-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.83
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide

N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 3846083) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID3846083
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC NameN-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1coc(C2CCCNC2)n1
InChIInChI=1S/C16H18BrN3O2/c17-13-5-1-3-11(7-13)8-19-15(21)14-10-22-16(20-14)12-4-2-6-18-9-12/h1,3,5,7,10,12,18H,2,4,6,8-9H2,(H,19,21)
InChIKeyLEXXUQVUXDRRAM-UHFFFAOYSA-N
XLogP2.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 5176443
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3871368
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110257631
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (CID 3846083) is N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is O=C(NCc1cccc(Br)c1)c1coc(C2CCCNC2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is LEXXUQVUXDRRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c17-13-5-1-3-11(7-13)8-19-15(21)14-10-22-16(20-14)12-4-2-6-18-9-12/h1,3,5,7,10,12,18H,2,4,6,8-9H2,(H,19,21).
What are the key properties of N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3846083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).