4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide

C25H29N5O3 — CID 167844025

IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
SMILESCCCC(NC(=O)c1ccc(-c2noc(C)n2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C25H29N5O3/c1-3-7-22(25(32)27-20-8-6-9-21(16-20)30-14-4-5-15-30)28-24(31)19-12-10-18(11-13-19)23-26-17(2)33-29-23/h6,8-13,16,22H,3-5,7,14-15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyHNKQGGUBJWHLJH-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.18
Rot. Bonds8

About 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide

4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide (PubChem CID 167844025) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
PubChem CID167844025
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
SMILESCCCC(NC(=O)c1ccc(-c2noc(C)n2)cc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C25H29N5O3/c1-3-7-22(25(32)27-20-8-6-9-21(16-20)30-14-4-5-15-30)28-24(31)19-12-10-18(11-13-19)23-26-17(2)33-29-23/h6,8-13,16,22H,3-5,7,14-15H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyHNKQGGUBJWHLJH-UHFFFAOYSA-N
XLogP4.18
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide?
The IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide (CID 167844025) is 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide?
The canonical SMILES for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide is CCCC(NC(=O)c1ccc(-c2noc(C)n2)cc1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide?
The InChIKey is HNKQGGUBJWHLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-3-7-22(25(32)27-20-8-6-9-21(16-20)30-14-4-5-15-30)28-24(31)19-12-10-18(11-13-19)23-26-17(2)33-29-23/h6,8-13,16,22H,3-5,7,14-15H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide?
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide is sourced from PubChem (CID 167844025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).