4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole

C16H24N4O2 — CID 131651095

IUPAC4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCOCC1CN(Cc2c(C)noc2C)Cc2cncn2C1
InChIInChI=1S/C16H24N4O2/c1-4-21-10-14-6-19(8-15-5-17-11-20(15)7-14)9-16-12(2)18-22-13(16)3/h5,11,14H,4,6-10H2,1-3H3
InChIKeyCCKCYWNGSYGSGU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.16
Rot. Bonds5

About 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 131651095) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID131651095
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCOCC1CN(Cc2c(C)noc2C)Cc2cncn2C1
InChIInChI=1S/C16H24N4O2/c1-4-21-10-14-6-19(8-15-5-17-11-20(15)7-14)9-16-12(2)18-22-13(16)3/h5,11,14H,4,6-10H2,1-3H3
InChIKeyCCKCYWNGSYGSGU-UHFFFAOYSA-N
XLogP2.16
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 131651095) is 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole is CCOCC1CN(Cc2c(C)noc2C)Cc2cncn2C1.
What is the InChIKey of 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CCKCYWNGSYGSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-21-10-14-6-19(8-15-5-17-11-20(15)7-14)9-16-12(2)18-22-13(16)3/h5,11,14H,4,6-10H2,1-3H3.
What are the key properties of 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 304.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 131651095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).