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

C19H18ClN3O3 — CID 3242553

IUPACN-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-12-3-5-13(6-4-12)19-22-18(26-23-19)10-9-17(24)21-14-7-8-16(25-2)15(20)11-14/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyHEDWPQRVACNPQK-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.28
Rot. Bonds6

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

N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3242553) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3242553
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-12-3-5-13(6-4-12)19-22-18(26-23-19)10-9-17(24)21-14-7-8-16(25-2)15(20)11-14/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyHEDWPQRVACNPQK-UHFFFAOYSA-N
XLogP4.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3242553) is N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is HEDWPQRVACNPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12-3-5-13(6-4-12)19-22-18(26-23-19)10-9-17(24)21-14-7-8-16(25-2)15(20)11-14/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 371.82 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3242553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).