5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole

C18H18N4O — CID 138038712

IUPAC5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESCc1cccc2c1C(C)CC2Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C18H18N4O/c1-11-5-3-6-14-13(9-12(2)16(11)14)10-15-21-18(22-23-15)17-19-7-4-8-20-17/h3-8,12-13H,9-10H2,1-2H3
InChIKeyYDXQPTBPICVILL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.67
Rot. Bonds3

About 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole

5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole (PubChem CID 138038712) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
PubChem CID138038712
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
SMILESCc1cccc2c1C(C)CC2Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C18H18N4O/c1-11-5-3-6-14-13(9-12(2)16(11)14)10-15-21-18(22-23-15)17-19-7-4-8-20-17/h3-8,12-13H,9-10H2,1-2H3
InChIKeyYDXQPTBPICVILL-UHFFFAOYSA-N
XLogP3.67
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole (CID 138038712) is 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole is Cc1cccc2c1C(C)CC2Cc1nc(-c2ncccn2)no1.
What is the InChIKey of 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
The InChIKey is YDXQPTBPICVILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-5-3-6-14-13(9-12(2)16(11)14)10-15-21-18(22-23-15)17-19-7-4-8-20-17/h3-8,12-13H,9-10H2,1-2H3.
What are the key properties of 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole?
5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethyl-2,3-dihydro-1H-inden-1-yl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 138038712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).