5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

C18H17N3O2 — CID 146133883

IUPAC5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1(C)CC(c2nc(-c3ccncc3)no2)c2ccccc2O1
InChIInChI=1S/C18H17N3O2/c1-18(2)11-14(13-5-3-4-6-15(13)22-18)17-20-16(21-23-17)12-7-9-19-10-8-12/h3-10,14H,11H2,1-2H3
InChIKeyYXJZVQIYRFTWLN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.82
Rot. Bonds2

About 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 146133883) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID146133883
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1(C)CC(c2nc(-c3ccncc3)no2)c2ccccc2O1
InChIInChI=1S/C18H17N3O2/c1-18(2)11-14(13-5-3-4-6-15(13)22-18)17-20-16(21-23-17)12-7-9-19-10-8-12/h3-10,14H,11H2,1-2H3
InChIKeyYXJZVQIYRFTWLN-UHFFFAOYSA-N
XLogP3.82
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 146133883) is 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is CC1(C)CC(c2nc(-c3ccncc3)no2)c2ccccc2O1.
What is the InChIKey of 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is YXJZVQIYRFTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-18(2)11-14(13-5-3-4-6-15(13)22-18)17-20-16(21-23-17)12-7-9-19-10-8-12/h3-10,14H,11H2,1-2H3.
What are the key properties of 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 307.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 146133883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).