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

C19H15ClF3N3O2 — CID 16588077

IUPACN-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H15ClF3N3O2/c1-11-14(20)6-3-7-15(11)24-16(27)8-9-17-25-26-18(28-17)12-4-2-5-13(10-12)19(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27)
InChIKeyDCHYCSNEFVMUGD-UHFFFAOYSA-N
MW409.80 g/mol
LogP5.29
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 16588077) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID16588077
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H15ClF3N3O2/c1-11-14(20)6-3-7-15(11)24-16(27)8-9-17-25-26-18(28-17)12-4-2-5-13(10-12)19(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27)
InChIKeyDCHYCSNEFVMUGD-UHFFFAOYSA-N
XLogP5.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.80
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110334389
N-(1,3-thiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16588059
N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16588213
propan-2-yl 4-[3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 16588286
N-cycloheptyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 17440127
N-(3-chloro-2-methylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 2365775
3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 110334418
2-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetic acid
CID 4200420
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370
2-(2-chloroethyl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 43513245
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16588084
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 16588077) is N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide is Cc1c(Cl)cccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is DCHYCSNEFVMUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-11-14(20)6-3-7-15(11)24-16(27)8-9-17-25-26-18(28-17)12-4-2-5-13(10-12)19(21,22)23/h2-7,10H,8-9H2,1H3,(H,24,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-(3-chloro-2-methylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 409.80 g/mol, XLogP of 5.29, 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-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 16588077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).