5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C21H17N3O3 — CID 99130248

IUPAC5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2nc(-c3ccccc3)oc2C2CC2)n1
InChIInChI=1S/C21H17N3O3/c1-25-16-10-6-5-9-15(16)19-23-21(27-24-19)17-18(13-11-12-13)26-20(22-17)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyPNTKKOMJVDVLTQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.94
Rot. Bonds5

About 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 99130248) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID99130248
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2nc(-c3ccccc3)oc2C2CC2)n1
InChIInChI=1S/C21H17N3O3/c1-25-16-10-6-5-9-15(16)19-23-21(27-24-19)17-18(13-11-12-13)26-20(22-17)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyPNTKKOMJVDVLTQ-UHFFFAOYSA-N
XLogP4.94
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
3-(2-methoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527966
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
5-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811619
N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 55096100
3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835553
2-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23010460
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
3-(2-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963060
3-(2-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 154747111
N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 4900524

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 99130248) is 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2nc(-c3ccccc3)oc2C2CC2)n1.
What is the InChIKey of 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is PNTKKOMJVDVLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-25-16-10-6-5-9-15(16)19-23-21(27-24-19)17-18(13-11-12-13)26-20(22-17)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 359.39 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 99130248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).