5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine

C25H23N5O2 — CID 176704747

IUPAC5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine
SMILESC=CN.Cc1ccc(-c2noc(C3CC3)n2)cc1-c1cnc(-c2cccc3[nH]ccc23)o1
InChIInChI=1S/C23H18N4O2.C2H5N/c1-13-5-6-15(21-26-22(29-27-21)14-7-8-14)11-18(13)20-12-25-23(28-20)17-3-2-4-19-16(17)9-10-24-19;1-2-3/h2-6,9-12,14,24H,7-8H2,1H3;2H,1,3H2
InChIKeyAHEUYWKXNOJBFY-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.81
Rot. Bonds4

About 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine

5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine (PubChem CID 176704747) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine.

Molecular Properties

Compound Name5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine
PubChem CID176704747
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine
SMILESC=CN.Cc1ccc(-c2noc(C3CC3)n2)cc1-c1cnc(-c2cccc3[nH]ccc23)o1
InChIInChI=1S/C23H18N4O2.C2H5N/c1-13-5-6-15(21-26-22(29-27-21)14-7-8-14)11-18(13)20-12-25-23(28-20)17-3-2-4-19-16(17)9-10-24-19;1-2-3/h2-6,9-12,14,24H,7-8H2,1H3;2H,1,3H2
InChIKeyAHEUYWKXNOJBFY-UHFFFAOYSA-N
XLogP5.81
TPSA106.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1H-indol-4-yl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173260
3-(1H-indol-4-yl)-5-(2-propyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 154838533
5-(1H-indol-4-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 94069309
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 60811920
N-[4-[5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53032108
3-(1H-indol-4-yl)-5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 29151864
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
ethyl 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429627
2-methyl-5-[5-(1-methylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 144545240
cis-(1S,3R)-3-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323699
5-[3-bromo-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(1H-indol-4-yl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole;5-(1-phenylpropyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 159949525
3-(4-fluoro-3-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 54933319

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine?
The IUPAC name of 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine (CID 176704747) is 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine.
What is the SMILES notation for 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine?
The canonical SMILES for 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine is C=CN.Cc1ccc(-c2noc(C3CC3)n2)cc1-c1cnc(-c2cccc3[nH]ccc23)o1.
What is the InChIKey of 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine?
The InChIKey is AHEUYWKXNOJBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2.C2H5N/c1-13-5-6-15(21-26-22(29-27-21)14-7-8-14)11-18(13)20-12-25-23(28-20)17-3-2-4-19-16(17)9-10-24-19;1-2-3/h2-6,9-12,14,24H,7-8H2,1H3;2H,1,3H2.
What are the key properties of 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine?
5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine has a molecular weight of 425.49 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[3-[2-(1H-indol-4-yl)-1,3-oxazol-5-yl]-4-methylphenyl]-1,2,4-oxadiazole;ethenamine is sourced from PubChem (CID 176704747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).