N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide

C20H20ClN3O2 — CID 50984487

IUPACN-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1ccccc1-c1noc(CCCC(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H20ClN3O2/c1-14-5-2-3-6-17(14)20-23-19(26-24-20)8-4-7-18(25)22-13-15-9-11-16(21)12-10-15/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,25)
InChIKeyDUBYNFTYMHQFMV-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.34
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 50984487) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID50984487
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1ccccc1-c1noc(CCCC(=O)NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H20ClN3O2/c1-14-5-2-3-6-17(14)20-23-19(26-24-20)8-4-7-18(25)22-13-15-9-11-16(21)12-10-15/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,25)
InChIKeyDUBYNFTYMHQFMV-UHFFFAOYSA-N
XLogP4.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 17101262
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 131911467
3-(2,6-dichlorophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100604654
N-benzyl-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2991422
N-[1-(4-chlorophenyl)ethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133209743
1-(4-chlorophenyl)-3-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323647
N-(5-chloro-2-methylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758765
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 46450541
N-[(4-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31064361
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(diethylaminomethyl)phenyl]methyl]butanamide
CID 55854782

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 50984487) is N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1ccccc1-c1noc(CCCC(=O)NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is DUBYNFTYMHQFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-5-2-3-6-17(14)20-23-19(26-24-20)8-4-7-18(25)22-13-15-9-11-16(21)12-10-15/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 369.85 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 50984487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).