N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide

C20H20ClN3O3 — CID 4154111

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
SMILESCCCCCOc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C20H20ClN3O3/c1-2-3-6-12-26-15-9-7-8-14(13-15)18(25)22-20-24-23-19(27-20)16-10-4-5-11-17(16)21/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,22,24,25)
InChIKeyIQSHOVHVRSBZMF-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.21
Rot. Bonds8

About N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide (PubChem CID 4154111) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
PubChem CID4154111
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
SMILESCCCCCOc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C20H20ClN3O3/c1-2-3-6-12-26-15-9-7-8-14(13-15)18(25)22-20-24-23-19(27-20)16-10-4-5-11-17(16)21/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,22,24,25)
InChIKeyIQSHOVHVRSBZMF-UHFFFAOYSA-N
XLogP5.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578184
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 43976718
3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2104567
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 43975905
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
3-butoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028171
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839508
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888894
3-pentoxybenzohydrazide
CID 54793157
4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4168904
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide (CID 4154111) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide is CCCCCOc1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide?
The InChIKey is IQSHOVHVRSBZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-2-3-6-12-26-15-9-7-8-14(13-15)18(25)22-20-24-23-19(27-20)16-10-4-5-11-17(16)21/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,22,24,25).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide has a molecular weight of 385.85 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide is sourced from PubChem (CID 4154111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).