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

C15H16BrN3O2 — CID 5168956

IUPACN-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1coc(C2CCCNC2)n1
InChIInChI=1S/C15H16BrN3O2/c16-11-4-1-5-12(7-11)18-14(20)13-9-21-15(19-13)10-3-2-6-17-8-10/h1,4-5,7,9-10,17H,2-3,6,8H2,(H,18,20)
InChIKeyRNISOMNCILIGDB-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.16
Rot. Bonds3

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

N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 5168956) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID5168956
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1coc(C2CCCNC2)n1
InChIInChI=1S/C15H16BrN3O2/c16-11-4-1-5-12(7-11)18-14(20)13-9-21-15(19-13)10-3-2-6-17-8-10/h1,4-5,7,9-10,17H,2-3,6,8H2,(H,18,20)
InChIKeyRNISOMNCILIGDB-UHFFFAOYSA-N
XLogP3.16
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 5176443
N-[(3-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846083
N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide
CID 112707531
N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3871368
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3868746
2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
CID 90514961
N-(3-chlorophenyl)-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94133475
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide (CID 5168956) is N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is O=C(Nc1cccc(Br)c1)c1coc(C2CCCNC2)n1.
What is the InChIKey of N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is RNISOMNCILIGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-11-4-1-5-12(7-11)18-14(20)13-9-21-15(19-13)10-3-2-6-17-8-10/h1,4-5,7,9-10,17H,2-3,6,8H2,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide?
N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5168956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).