5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide

C25H29ClFN5O2 — CID 15989867

IUPAC5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)CC2)c1
InChIInChI=1S/C25H29ClFN5O2/c1-17-4-5-18(2)22(14-17)32-12-10-31(11-13-32)9-3-8-28-24(33)25-30-29-23(34-25)15-19-6-7-20(27)16-21(19)26/h4-7,14,16H,3,8-13,15H2,1-2H3,(H,28,33)
InChIKeyNBXGULVRBOCVRN-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.01
Rot. Bonds8

About 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide

5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 15989867) has the molecular formula C25H29ClFN5O2 and a molecular weight of 485.99 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID15989867
Molecular FormulaC25H29ClFN5O2
Molecular Weight485.99 g/mol
Exact Mass485.20
IUPAC Name5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)CC2)c1
InChIInChI=1S/C25H29ClFN5O2/c1-17-4-5-18(2)22(14-17)32-12-10-31(11-13-32)9-3-8-28-24(33)25-30-29-23(34-25)15-19-6-7-20(27)16-21(19)26/h4-7,14,16H,3,8-13,15H2,1-2H3,(H,28,33)
InChIKeyNBXGULVRBOCVRN-UHFFFAOYSA-N
XLogP4.01
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 15989865
CID 15989865
CID 16017911
CID 16017911
CID 667124
CID 667124
CID 2038766
CID 2038766
CID 15989850
CID 15989850
CID 15989881
CID 15989881
CID 15989882
CID 15989882
CID 15989884
CID 15989884
CID 15989886
CID 15989886
CID 15990030
CID 15990030
CID 156146550
CID 156146550
CID 130299231
CID 130299231

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide (CID 15989867) is 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(C)c(N2CCN(CCCNC(=O)c3nnc(Cc4ccc(F)cc4Cl)o3)CC2)c1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is NBXGULVRBOCVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O2/c1-17-4-5-18(2)22(14-17)32-12-10-31(11-13-32)9-3-8-28-24(33)25-30-29-23(34-25)15-19-6-7-20(27)16-21(19)26/h4-7,14,16H,3,8-13,15H2,1-2H3,(H,28,33).
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 485.99 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methyl]-N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 15989867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).