[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone

C23H26N4O2 — CID 52810003

IUPAC[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCCc1ccc(-c2noc(CNc3ccc(C(=O)N4CCCC4)cc3C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-3-17-6-8-18(9-7-17)22-25-21(29-26-22)15-24-20-11-10-19(14-16(20)2)23(28)27-12-4-5-13-27/h6-11,14,24H,3-5,12-13,15H2,1-2H3
InChIKeySHBGTVOZBFOLOE-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.46
Rot. Bonds6

About [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone

[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 52810003) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone
PubChem CID52810003
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCCc1ccc(-c2noc(CNc3ccc(C(=O)N4CCCC4)cc3C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-3-17-6-8-18(9-7-17)22-25-21(29-26-22)15-24-20-11-10-19(14-16(20)2)23(28)27-12-4-5-13-27/h6-11,14,24H,3-5,12-13,15H2,1-2H3
InChIKeySHBGTVOZBFOLOE-UHFFFAOYSA-N
XLogP4.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 71884742
[5-chloro-2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 60536293
2-[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 24534604
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 60603137
[3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
CID 86874889
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100760010
N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
CID 47093633
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone (CID 52810003) is [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone is CCc1ccc(-c2noc(CNc3ccc(C(=O)N4CCCC4)cc3C)n2)cc1.
What is the InChIKey of [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SHBGTVOZBFOLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-17-6-8-18(9-7-17)22-25-21(29-26-22)15-24-20-11-10-19(14-16(20)2)23(28)27-12-4-5-13-27/h6-11,14,24H,3-5,12-13,15H2,1-2H3.
What are the key properties of [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone?
[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 390.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 52810003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).