N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

C18H24N4O2 — CID 48739675

IUPACN-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3nc(C)c(C)o3)CC2)c1C
InChIInChI=1S/C18H24N4O2/c1-12-6-5-7-16(13(12)2)21-8-10-22(11-9-21)18(23)20-17-19-14(3)15(4)24-17/h5-7H,8-11H2,1-4H3,(H,19,20,23)
InChIKeyJUITVVCIOKUPBG-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.26
Rot. Bonds2

About N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 48739675) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
PubChem CID48739675
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3nc(C)c(C)o3)CC2)c1C
InChIInChI=1S/C18H24N4O2/c1-12-6-5-7-16(13(12)2)21-8-10-22(11-9-21)18(23)20-17-19-14(3)15(4)24-17/h5-7H,8-11H2,1-4H3,(H,19,20,23)
InChIKeyJUITVVCIOKUPBG-UHFFFAOYSA-N
XLogP3.26
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (CID 48739675) is N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3nc(C)c(C)o3)CC2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is JUITVVCIOKUPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-6-5-7-16(13(12)2)21-8-10-22(11-9-21)18(23)20-17-19-14(3)15(4)24-17/h5-7H,8-11H2,1-4H3,(H,19,20,23).
What are the key properties of N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 48739675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).