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

C17H22N4O2 — CID 113111781

IUPAC4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C17H22N4O2/c1-12-8-13(2)10-15(9-12)20-4-6-21(7-5-20)17(22)18-16-11-14(3)23-19-16/h8-11H,4-7H2,1-3H3,(H,18,19,22)
InChIKeyTZUIHGNRYOPOOP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.95
Rot. Bonds2

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

4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 113111781) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID113111781
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C17H22N4O2/c1-12-8-13(2)10-15(9-12)20-4-6-21(7-5-20)17(22)18-16-11-14(3)23-19-16/h8-11H,4-7H2,1-3H3,(H,18,19,22)
InChIKeyTZUIHGNRYOPOOP-UHFFFAOYSA-N
XLogP2.95
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114763
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112562
4-benzhydryl-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 24528636
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113114488
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660
4-[2-(4-methoxyphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 47082324
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 113111781) is 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1cc(C)cc(N2CCN(C(=O)Nc3cc(C)on3)CC2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is TZUIHGNRYOPOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-8-13(2)10-15(9-12)20-4-6-21(7-5-20)17(22)18-16-11-14(3)23-19-16/h8-11H,4-7H2,1-3H3,(H,18,19,22).
What are the key properties of 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113111781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).