5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole

C14H13N3O2 — CID 2742648

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C14H13N3O2/c1-8-5-4-6-11(7-8)13-15-14(19-17-13)12-9(2)16-18-10(12)3/h4-7H,1-3H3
InChIKeyBSKVWXZASOQIEI-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.32
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2742648) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID2742648
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C14H13N3O2/c1-8-5-4-6-11(7-8)13-15-14(19-17-13)12-9(2)16-18-10(12)3/h4-7H,1-3H3
InChIKeyBSKVWXZASOQIEI-UHFFFAOYSA-N
XLogP3.32
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 2742648) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BSKVWXZASOQIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-5-4-6-11(7-8)13-15-14(19-17-13)12-9(2)16-18-10(12)3/h4-7H,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 255.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).