N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide

C13H13N5O3 — CID 107435761

IUPACN-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccc(-c3nnco3)cc2)CN1
InChIInChI=1S/C13H13N5O3/c19-11-6-14-10(5-15-11)12(20)17-9-3-1-8(2-4-9)13-18-16-7-21-13/h1-4,7,10,14H,5-6H2,(H,15,19)(H,17,20)
InChIKeyMYTKRTAHGWFRKG-UHFFFAOYSA-N
MW287.28 g/mol
LogP-0.24
Rot. Bonds3

About N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide

N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435761) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435761
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccc(-c3nnco3)cc2)CN1
InChIInChI=1S/C13H13N5O3/c19-11-6-14-10(5-15-11)12(20)17-9-3-1-8(2-4-9)13-18-16-7-21-13/h1-4,7,10,14H,5-6H2,(H,15,19)(H,17,20)
InChIKeyMYTKRTAHGWFRKG-UHFFFAOYSA-N
XLogP-0.24
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61275962
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 61275565
2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940960
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
CID 107435712
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169355998

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide (CID 107435761) is N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)Nc2ccc(-c3nnco3)cc2)CN1.
What is the InChIKey of N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is MYTKRTAHGWFRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c19-11-6-14-10(5-15-11)12(20)17-9-3-1-8(2-4-9)13-18-16-7-21-13/h1-4,7,10,14H,5-6H2,(H,15,19)(H,17,20).
What are the key properties of N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide?
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 287.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).