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

C16H18BrN3O2 — CID 3846077

IUPACN-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1coc(C2CCCNC2)n1
InChIInChI=1S/C16H18BrN3O2/c17-13-5-3-11(4-6-13)8-19-15(21)14-10-22-16(20-14)12-2-1-7-18-9-12/h3-6,10,12,18H,1-2,7-9H2,(H,19,21)
InChIKeyQKIUDCYCORLECK-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.83
Rot. Bonds4

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

N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 3846077) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID3846077
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC NameN-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1coc(C2CCCNC2)n1
InChIInChI=1S/C16H18BrN3O2/c17-13-5-3-11(4-6-13)8-19-15(21)14-10-22-16(20-14)12-2-1-7-18-9-12/h3-6,10,12,18H,1-2,7-9H2,(H,19,21)
InChIKeyQKIUDCYCORLECK-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (CID 3846077) is N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is O=C(NCc1ccc(Br)cc1)c1coc(C2CCCNC2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is QKIUDCYCORLECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c17-13-5-3-11(4-6-13)8-19-15(21)14-10-22-16(20-14)12-2-1-7-18-9-12/h3-6,10,12,18H,1-2,7-9H2,(H,19,21).
What are the key properties of N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
N-[(4-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-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3846077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).