2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide

C24H21ClN4O3 — CID 71800540

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C24H21ClN4O3/c1-24(2,31-19-9-7-18(25)8-10-19)23(30)27-20-6-4-3-5-17(20)15-21-28-22(29-32-21)16-11-13-26-14-12-16/h3-14H,15H2,1-2H3,(H,27,30)
InChIKeyMUKWSDOWIPOKFH-UHFFFAOYSA-N
MW448.91 g/mol
LogP5.17
Rot. Bonds7

About 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide (PubChem CID 71800540) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide
PubChem CID71800540
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1
InChIInChI=1S/C24H21ClN4O3/c1-24(2,31-19-9-7-18(25)8-10-19)23(30)27-20-6-4-3-5-17(20)15-21-28-22(29-32-21)16-11-13-26-14-12-16/h3-14H,15H2,1-2H3,(H,27,30)
InChIKeyMUKWSDOWIPOKFH-UHFFFAOYSA-N
XLogP5.17
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide (CID 71800540) is 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide?
The InChIKey is MUKWSDOWIPOKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-24(2,31-19-9-7-18(25)8-10-19)23(30)27-20-6-4-3-5-17(20)15-21-28-22(29-32-21)16-11-13-26-14-12-16/h3-14H,15H2,1-2H3,(H,27,30).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide has a molecular weight of 448.91 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 71800540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).