N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C17H22N4O2 — CID 91959940

IUPACN-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1c(C(=O)NCC(c2ccccc2)N(C)C)nn2c1OCC2
InChIInChI=1S/C17H22N4O2/c1-12-15(19-21-9-10-23-17(12)21)16(22)18-11-14(20(2)3)13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,18,22)
InChIKeyJPKZZSXNONCIIL-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91959940) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91959940
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCc1c(C(=O)NCC(c2ccccc2)N(C)C)nn2c1OCC2
InChIInChI=1S/C17H22N4O2/c1-12-15(19-21-9-10-23-17(12)21)16(22)18-11-14(20(2)3)13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,18,22)
InChIKeyJPKZZSXNONCIIL-UHFFFAOYSA-N
XLogP1.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91959940) is N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is Cc1c(C(=O)NCC(c2ccccc2)N(C)C)nn2c1OCC2.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is JPKZZSXNONCIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-15(19-21-9-10-23-17(12)21)16(22)18-11-14(20(2)3)13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91959940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).