N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide

C23H24N4O5 — CID 169410440

IUPACN-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CCC4)cc3)n2)cc1OC
InChIInChI=1S/C23H24N4O5/c1-30-18-9-8-17(14-19(18)31-2)20-25-22(32-26-20)21(28)24-11-10-15-4-6-16(7-5-15)23(29)27-12-3-13-27/h4-9,14H,3,10-13H2,1-2H3,(H,24,28)
InChIKeyGCZJCDQGYPXFCY-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.57
Rot. Bonds8

About N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide

N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 169410440) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID169410440
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CCC4)cc3)n2)cc1OC
InChIInChI=1S/C23H24N4O5/c1-30-18-9-8-17(14-19(18)31-2)20-25-22(32-26-20)21(28)24-11-10-15-4-6-16(7-5-15)23(29)27-12-3-13-27/h4-9,14H,3,10-13H2,1-2H3,(H,24,28)
InChIKeyGCZJCDQGYPXFCY-UHFFFAOYSA-N
XLogP2.57
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 169410440) is N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide is COc1ccc(-c2noc(C(=O)NCCc3ccc(C(=O)N4CCC4)cc3)n2)cc1OC.
What is the InChIKey of N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is GCZJCDQGYPXFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-18-9-8-17(14-19(18)31-2)20-25-22(32-26-20)21(28)24-11-10-15-4-6-16(7-5-15)23(29)27-12-3-13-27/h4-9,14H,3,10-13H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(azetidine-1-carbonyl)phenyl]ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 169410440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).