2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide

C19H15Cl2N3O2 — CID 72717371

IUPAC2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c20-13-7-8-15(21)14(10-13)19(25)22-16-4-2-1-3-12(16)9-17-23-18(24-26-17)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,22,25)
InChIKeyTXMTWVOQNQDZMP-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.10
Rot. Bonds5

About 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide

2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (PubChem CID 72717371) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
PubChem CID72717371
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl2N3O2/c20-13-7-8-15(21)14(10-13)19(25)22-16-4-2-1-3-12(16)9-17-23-18(24-26-17)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,22,25)
InChIKeyTXMTWVOQNQDZMP-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide (CID 72717371) is 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
The InChIKey is TXMTWVOQNQDZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-13-7-8-15(21)14(10-13)19(25)22-16-4-2-1-3-12(16)9-17-23-18(24-26-17)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2,(H,22,25).
What are the key properties of 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide?
2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide has a molecular weight of 388.25 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 72717371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).