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

C15H22N4O2 — CID 131646984

IUPAC4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOCC1CN(Cc2c(C)noc2C)Cc2cncn2C1
InChIInChI=1S/C15H22N4O2/c1-11-15(12(2)21-17-11)8-18-5-13(9-20-3)6-19-10-16-4-14(19)7-18/h4,10,13H,5-9H2,1-3H3
InChIKeyFYSQWVBRBWIQSO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.77
Rot. Bonds4

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

4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 131646984) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[[6-(methoxymethyl)-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-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID131646984
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOCC1CN(Cc2c(C)noc2C)Cc2cncn2C1
InChIInChI=1S/C15H22N4O2/c1-11-15(12(2)21-17-11)8-18-5-13(9-20-3)6-19-10-16-4-14(19)7-18/h4,10,13H,5-9H2,1-3H3
InChIKeyFYSQWVBRBWIQSO-UHFFFAOYSA-N
XLogP1.77
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(methoxymethyl)-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-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 131646984) is 4-[[6-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole is COCC1CN(Cc2c(C)noc2C)Cc2cncn2C1.
What is the InChIKey of 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FYSQWVBRBWIQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-15(12(2)21-17-11)8-18-5-13(9-20-3)6-19-10-16-4-14(19)7-18/h4,10,13H,5-9H2,1-3H3.
What are the key properties of 4-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[6-(methoxymethyl)-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 290.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methoxymethyl)-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 131646984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).