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

C15H16BrN3O2 — CID 5176443

IUPACN-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C15H16BrN3O2/c16-11-2-1-3-12(8-11)18-14(20)13-9-21-15(19-13)10-4-6-17-7-5-10/h1-3,8-10,17H,4-7H2,(H,18,20)
InChIKeyGOTMIBGSFWJUJL-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.16
Rot. Bonds3

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

N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 5176443) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID5176443
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C15H16BrN3O2/c16-11-2-1-3-12(8-11)18-14(20)13-9-21-15(19-13)10-4-6-17-7-5-10/h1-3,8-10,17H,4-7H2,(H,18,20)
InChIKeyGOTMIBGSFWJUJL-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

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Related Compounds

N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-[4-[(4-aminophenyl)methyl]phenyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3860536
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3851641
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
CID 90514961
N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3868751
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide
CID 112707531
2-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 5176278
N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138590049

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 5176443) is N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is O=C(Nc1cccc(Br)c1)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GOTMIBGSFWJUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-11-2-1-3-12(8-11)18-14(20)13-9-21-15(19-13)10-4-6-17-7-5-10/h1-3,8-10,17H,4-7H2,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-(3-bromophenyl)-2-piperidin-4-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-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5176443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).