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

C18H15ClFN3O3 — CID 15989763

IUPACN-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C18H15ClFN3O3/c1-25-15-7-6-11(19)10-14(15)21-16(24)8-9-17-22-18(23-26-17)12-4-2-3-5-13(12)20/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyIVVBPYLJTMQCKT-UHFFFAOYSA-N
MW375.79 g/mol
LogP4.11
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 15989763) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID15989763
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2F)no1
InChIInChI=1S/C18H15ClFN3O3/c1-25-15-7-6-11(19)10-14(15)21-16(24)8-9-17-22-18(23-26-17)12-4-2-3-5-13(12)20/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyIVVBPYLJTMQCKT-UHFFFAOYSA-N
XLogP4.11
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 15989763) is N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2F)no1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is IVVBPYLJTMQCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-25-15-7-6-11(19)10-14(15)21-16(24)8-9-17-22-18(23-26-17)12-4-2-3-5-13(12)20/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 375.79 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 15989763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).