N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide

C9H12N4O3 — CID 107433364

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNC(=O)CN2)no1
InChIInChI=1S/C9H12N4O3/c1-5-2-7(13-16-5)12-9(15)6-3-11-8(14)4-10-6/h2,6,10H,3-4H2,1H3,(H,11,14)(H,12,13,15)
InChIKeyIBXDSMZAJBDASC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.99
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide (PubChem CID 107433364) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
PubChem CID107433364
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CNC(=O)CN2)no1
InChIInChI=1S/C9H12N4O3/c1-5-2-7(13-16-5)12-9(15)6-3-11-8(14)4-10-6/h2,6,10H,3-4H2,1H3,(H,11,14)(H,12,13,15)
InChIKeyIBXDSMZAJBDASC-UHFFFAOYSA-N
XLogP-0.99
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983438
N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 18071476
N-(4-methyl-1H-pyrazol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107437536
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
CID 107641827
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434603
N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 119276056
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 107067103
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide (CID 107433364) is N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide is Cc1cc(NC(=O)C2CNC(=O)CN2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide?
The InChIKey is IBXDSMZAJBDASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5-2-7(13-16-5)12-9(15)6-3-11-8(14)4-10-6/h2,6,10H,3-4H2,1H3,(H,11,14)(H,12,13,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).