N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide

C17H21N5O3 — CID 110396572

IUPACN-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)c1nnc(C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C17H21N5O3/c1-12(2)14-19-20-15(25-14)16(23)21-8-10-22(11-9-21)17(24)18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,24)
InChIKeyZMVPPAFWWGNINI-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.18
Rot. Bonds3

About N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide

N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide (PubChem CID 110396572) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide
PubChem CID110396572
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)c1nnc(C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C17H21N5O3/c1-12(2)14-19-20-15(25-14)16(23)21-8-10-22(11-9-21)17(24)18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,24)
InChIKeyZMVPPAFWWGNINI-UHFFFAOYSA-N
XLogP2.18
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)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-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110396026
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110393038
(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396543
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396633
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396609
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393138
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide (CID 110396572) is N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide is CC(C)c1nnc(C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)o1.
What is the InChIKey of N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is ZMVPPAFWWGNINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12(2)14-19-20-15(25-14)16(23)21-8-10-22(11-9-21)17(24)18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,24).
What are the key properties of N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide?
N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110396572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).