3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide

C27H23N5O4 — CID 55798647

IUPAC3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccc(C(=O)N4CC(=O)Nc5ccccc54)cc3)o2)cc1
InChIInChI=1S/C27H23N5O4/c1-17-6-8-18(9-7-17)26-31-30-25(36-26)15-14-23(33)28-20-12-10-19(11-13-20)27(35)32-16-24(34)29-21-4-2-3-5-22(21)32/h2-13H,14-16H2,1H3,(H,28,33)(H,29,34)
InChIKeyNRUIVJWCWRCBKP-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.22
Rot. Bonds6

About 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide (PubChem CID 55798647) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
PubChem CID55798647
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccc(C(=O)N4CC(=O)Nc5ccccc54)cc3)o2)cc1
InChIInChI=1S/C27H23N5O4/c1-17-6-8-18(9-7-17)26-31-30-25(36-26)15-14-23(33)28-20-12-10-19(11-13-20)27(35)32-16-24(34)29-21-4-2-3-5-22(21)32/h2-13H,14-16H2,1H3,(H,28,33)(H,29,34)
InChIKeyNRUIVJWCWRCBKP-UHFFFAOYSA-N
XLogP4.22
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide (CID 55798647) is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(C(=O)N4CC(=O)Nc5ccccc54)cc3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide?
The InChIKey is NRUIVJWCWRCBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c1-17-6-8-18(9-7-17)26-31-30-25(36-26)15-14-23(33)28-20-12-10-19(11-13-20)27(35)32-16-24(34)29-21-4-2-3-5-22(21)32/h2-13H,14-16H2,1H3,(H,28,33)(H,29,34).
What are the key properties of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide?
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide has a molecular weight of 481.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 55798647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).