3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide

C19H25N5O3 — CID 86991458

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)n1
InChIInChI=1S/C19H25N5O3/c1-19(2,3)18-22-17(27-23-18)9-8-15(25)21-13-4-6-14(7-5-13)24-11-10-20-16(26)12-24/h4-7H,8-12H2,1-3H3,(H,20,26)(H,21,25)
InChIKeyQXRPXXOEFCPWKG-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.87
Rot. Bonds5

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide (PubChem CID 86991458) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
PubChem CID86991458
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)n1
InChIInChI=1S/C19H25N5O3/c1-19(2,3)18-22-17(27-23-18)9-8-15(25)21-13-4-6-14(7-5-13)24-11-10-20-16(26)12-24/h4-7H,8-12H2,1-3H3,(H,20,26)(H,21,25)
InChIKeyQXRPXXOEFCPWKG-UHFFFAOYSA-N
XLogP1.87
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-imidazol-1-ylphenyl)butanamide
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3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide
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3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
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3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
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4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide (CID 86991458) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide is CC(C)(C)c1noc(CCC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide?
The InChIKey is QXRPXXOEFCPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-19(2,3)18-22-17(27-23-18)9-8-15(25)21-13-4-6-14(7-5-13)24-11-10-20-16(26)12-24/h4-7H,8-12H2,1-3H3,(H,20,26)(H,21,25).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide has a molecular weight of 371.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(3-oxopiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 86991458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).