4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide

C16H20N4O2 — CID 108812009

IUPAC4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccon3)CC2)c1C
InChIInChI=1S/C16H20N4O2/c1-12-4-3-5-14(13(12)2)19-7-9-20(10-8-19)16(21)17-15-6-11-22-18-15/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyKFMSXKTXYZMHDN-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.65
Rot. Bonds2

About 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide

4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 108812009) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID108812009
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccon3)CC2)c1C
InChIInChI=1S/C16H20N4O2/c1-12-4-3-5-14(13(12)2)19-7-9-20(10-8-19)16(21)17-15-6-11-22-18-15/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyKFMSXKTXYZMHDN-UHFFFAOYSA-N
XLogP2.65
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
CID 108813826
N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 127624784
4-(2,3-dimethylphenyl)-N-thiophen-2-ylpiperazine-1-carboxamide;hydrochloride
CID 108889235
4-(2,3-dimethylphenyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108886876
N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
CID 51113389
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109004303
N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108886011
4-(2,3-dimethylphenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663052
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108532336
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 108812009) is 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3ccon3)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is KFMSXKTXYZMHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-4-3-5-14(13(12)2)19-7-9-20(10-8-19)16(21)17-15-6-11-22-18-15/h3-6,11H,7-10H2,1-2H3,(H,17,18,21).
What are the key properties of 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108812009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).