4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide

C18H20N4O2 — CID 120860450

IUPAC4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide
SMILESNC1(c2noc(/C=C/c3ccc(C(=O)NC4CC4)cc3)n2)CCC1
InChIInChI=1S/C18H20N4O2/c19-18(10-1-11-18)17-21-15(24-22-17)9-4-12-2-5-13(6-3-12)16(23)20-14-7-8-14/h2-6,9,14H,1,7-8,10-11,19H2,(H,20,23)/b9-4+
InChIKeyZQGZTRWCTWTOES-RUDMXATFSA-N
MW324.38 g/mol
LogP2.47
Rot. Bonds5

About 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide

4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide (PubChem CID 120860450) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide
PubChem CID120860450
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide
SMILESNC1(c2noc(/C=C/c3ccc(C(=O)NC4CC4)cc3)n2)CCC1
InChIInChI=1S/C18H20N4O2/c19-18(10-1-11-18)17-21-15(24-22-17)9-4-12-2-5-13(6-3-12)16(23)20-14-7-8-14/h2-6,9,14H,1,7-8,10-11,19H2,(H,20,23)/b9-4+
InChIKeyZQGZTRWCTWTOES-RUDMXATFSA-N
XLogP2.47
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
2-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenoxy]acetamide
CID 120860938
1-[5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853913
5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790777
1-[5-[(E)-2-(2-bromophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858673
1-[5-[(E)-2-(5-bromofuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860910
1-[5-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864766
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
4-(4-aminobut-1-enyl)-N-cyclopropylbenzamide
CID 170487710
1-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861094
3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid
CID 76943368
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide
CID 39997247

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide (CID 120860450) is 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide is NC1(c2noc(/C=C/c3ccc(C(=O)NC4CC4)cc3)n2)CCC1.
What is the InChIKey of 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide?
The InChIKey is ZQGZTRWCTWTOES-RUDMXATFSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-18(10-1-11-18)17-21-15(24-22-17)9-4-12-2-5-13(6-3-12)16(23)20-14-7-8-14/h2-6,9,14H,1,7-8,10-11,19H2,(H,20,23)/b9-4+.
What are the key properties of 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide?
4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 120860450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).