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

C19H25N5O2 — CID 113114488

IUPAC4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)no1
InChIInChI=1S/C19H25N5O2/c1-15-14-18(21-26-15)23-10-12-24(13-11-23)19(25)20-16-4-6-17(7-5-16)22-8-2-3-9-22/h4-7,14H,2-3,8-13H2,1H3,(H,20,25)
InChIKeyHJNGUFFPTGZPRD-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.94
Rot. Bonds3

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

4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113114488) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113114488
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)no1
InChIInChI=1S/C19H25N5O2/c1-15-14-18(21-26-15)23-10-12-24(13-11-23)19(25)20-16-4-6-17(7-5-16)22-8-2-3-9-22/h4-7,14H,2-3,8-13H2,1H3,(H,20,25)
InChIKeyHJNGUFFPTGZPRD-UHFFFAOYSA-N
XLogP2.94
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114278
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114690
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113365
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
N-(4-bromo-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114627

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide (CID 113114488) is 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)no1.
What is the InChIKey of 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is HJNGUFFPTGZPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15-14-18(21-26-15)23-10-12-24(13-11-23)19(25)20-16-4-6-17(7-5-16)22-8-2-3-9-22/h4-7,14H,2-3,8-13H2,1H3,(H,20,25).
What are the key properties of 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide?
4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113114488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).