N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C22H24ClN3O2 — CID 83288758

IUPACN-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCC(C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-4-16(3)26(22(27)18-7-5-6-8-19(18)23)14-13-20-24-21(25-28-20)17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3
InChIKeyURDNZPYRTNFVQG-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.18
Rot. Bonds7

About N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 83288758) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID83288758
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCC(C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-4-16(3)26(22(27)18-7-5-6-8-19(18)23)14-13-20-24-21(25-28-20)17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3
InChIKeyURDNZPYRTNFVQG-UHFFFAOYSA-N
XLogP5.18
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 83288780
N-butan-2-yl-4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288442
2-chloro-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylbenzamide
CID 83280330
2-chloro-4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 17020222
N-benzyl-2-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290453
4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 42808968
N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83284747
N-(2-chlorophenyl)-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 22431073
N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83281491
2-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 6494665
2-(4-chlorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylacetamide
CID 83288719
2-chloro-N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 83288742

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 83288758) is N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CCC(C)N(CCc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is URDNZPYRTNFVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-16(3)26(22(27)18-7-5-6-8-19(18)23)14-13-20-24-21(25-28-20)17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3.
What are the key properties of N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 397.91 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 83288758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).