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

C19H15ClF3N3O3 — CID 667337

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccccc1-c1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C19H15ClF3N3O3/c1-28-15-5-3-2-4-12(15)18-25-17(29-26-18)9-8-16(27)24-14-10-11(19(21,22)23)6-7-13(14)20/h2-7,10H,8-9H2,1H3,(H,24,27)
InChIKeySKUPLIWRCDNJOY-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.99
Rot. Bonds6

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 667337) has the molecular formula C19H15ClF3N3O3 and a molecular weight of 425.79 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID667337
Molecular FormulaC19H15ClF3N3O3
Molecular Weight425.79 g/mol
Exact Mass425.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccccc1-c1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C19H15ClF3N3O3/c1-28-15-5-3-2-4-12(15)18-25-17(29-26-18)9-8-16(27)24-14-10-11(19(21,22)23)6-7-13(14)20/h2-7,10H,8-9H2,1H3,(H,24,27)
InChIKeySKUPLIWRCDNJOY-UHFFFAOYSA-N
XLogP4.99
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665665
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 666363
N-(2-chlorophenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1991463
N-(2-chlorophenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2019737
N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3242553
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)propanamide
CID 3806837
N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 15989763
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15990476
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665621
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 665625
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2979894
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2984976

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 667337) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccccc1-c1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is SKUPLIWRCDNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O3/c1-28-15-5-3-2-4-12(15)18-25-17(29-26-18)9-8-16(27)24-14-10-11(19(21,22)23)6-7-13(14)20/h2-7,10H,8-9H2,1H3,(H,24,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 425.79 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 667337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).