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

C17H22N4O3 — CID 2738944

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3c(C)noc3C)CC2)cc1
InChIInChI=1S/C17H22N4O3/c1-12-16(13(2)24-19-12)18-17(22)21-10-8-20(9-11-21)14-4-6-15(23-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyADHDGXTZGOBXMW-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.65
Rot. Bonds3

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

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 2738944) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID2738944
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3c(C)noc3C)CC2)cc1
InChIInChI=1S/C17H22N4O3/c1-12-16(13(2)24-19-12)18-17(22)21-10-8-20(9-11-21)14-4-6-15(23-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyADHDGXTZGOBXMW-UHFFFAOYSA-N
XLogP2.65
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Methoxyphenyl)piperazinyl 5-methylisoxazol-3-yl ketone
CID 842091
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-pyrrolidin-2-one
CID 10318686
9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 71679344
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-(4-methoxyphenyl)-N'-(3-methyl-5-phenyl-4-isoxazolyl)urea
CID 2738315
4-(2-Methoxyphenyl)piperazinyl 5-methylisoxazol-3-yl ketone
CID 2741685
4-benzyl-N-(3,5-dimethyl-4-isoxazolyl)tetrahydro-1(2H)-pyrazinecarboxamide
CID 2810866
1-[(3,5-dimethyl-4-isoxazolyl)carbonyl]-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816685
7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233176
1-(2-Methoxyphenyl)-4-(5-methyl-4-nitro-1,2-oxazole-3-carbonyl)piperazine
CID 20864743
1-(3,5-Dimethyl-1,2-oxazol-4-yl)-3-(2-phenoxyethyl)urea
CID 2738952
N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 38218015

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 2738944) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3c(C)noc3C)CC2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is ADHDGXTZGOBXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-16(13(2)24-19-12)18-17(22)21-10-8-20(9-11-21)14-4-6-15(23-3)7-5-14/h4-7H,8-11H2,1-3H3,(H,18,22).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2738944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).