4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide

C19H17ClN4O3 — CID 666813

IUPAC4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1
InChIInChI=1S/C19H17ClN4O3/c20-15-5-2-1-4-14(15)19-23-17(27-24-19)7-3-6-16(25)22-13-10-8-12(9-11-13)18(21)26/h1-2,4-5,8-11H,3,6-7H2,(H2,21,26)(H,22,25)
InChIKeyBNPDNJVXRLAAKT-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.45
Rot. Bonds7

About 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide

4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide (PubChem CID 666813) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide.

Molecular Properties

Compound Name4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
PubChem CID666813
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1
InChIInChI=1S/C19H17ClN4O3/c20-15-5-2-1-4-14(15)19-23-17(27-24-19)7-3-6-16(25)22-13-10-8-12(9-11-13)18(21)26/h1-2,4-5,8-11H,3,6-7H2,(H2,21,26)(H,22,25)
InChIKeyBNPDNJVXRLAAKT-UHFFFAOYSA-N
XLogP3.45
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide?
The IUPAC name of 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide (CID 666813) is 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide.
What is the SMILES notation for 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide?
The canonical SMILES for 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide is NC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1.
What is the InChIKey of 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide?
The InChIKey is BNPDNJVXRLAAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-15-5-2-1-4-14(15)19-23-17(27-24-19)7-3-6-16(25)22-13-10-8-12(9-11-13)18(21)26/h1-2,4-5,8-11H,3,6-7H2,(H2,21,26)(H,22,25).
What are the key properties of 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide?
4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide has a molecular weight of 384.82 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide is sourced from PubChem (CID 666813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).