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

C18H15Cl2N3O2 — CID 100757053

IUPACN-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H15Cl2N3O2/c1-11-14(20)6-3-7-15(11)21-16(24)8-9-17-22-18(23-25-17)12-4-2-5-13(19)10-12/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyCXTUPYUEYCBGAX-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.92
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 100757053) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID100757053
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C18H15Cl2N3O2/c1-11-14(20)6-3-7-15(11)21-16(24)8-9-17-22-18(23-25-17)12-4-2-5-13(19)10-12/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyCXTUPYUEYCBGAX-UHFFFAOYSA-N
XLogP4.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 100757399
N-(2,5-dichlorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755858
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 110330804
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,3-dimethylphenyl)propanamide
CID 3159518
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,6-dichlorophenyl)propanamide
CID 100604670
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760642
N-(4-chloro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047544
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 100757475
N-(2-ethylphenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754661
N-(2,4-dichlorophenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26584637
N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 137026775

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 100757053) is N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is CXTUPYUEYCBGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-11-14(20)6-3-7-15(11)21-16(24)8-9-17-22-18(23-25-17)12-4-2-5-13(19)10-12/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 376.24 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 100757053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).