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

C15H20N4O3 — CID 131650841

IUPAC[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCCOCC1CN(C(=O)c2cc(C)no2)Cc2cncn2C1
InChIInChI=1S/C15H20N4O3/c1-3-21-9-12-6-18(8-13-5-16-10-19(13)7-12)15(20)14-4-11(2)17-22-14/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyXRDWWLJHHWPBSU-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.49
Rot. Bonds4

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

[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 131650841) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID131650841
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCCOCC1CN(C(=O)c2cc(C)no2)Cc2cncn2C1
InChIInChI=1S/C15H20N4O3/c1-3-21-9-12-6-18(8-13-5-16-10-19(13)7-12)15(20)14-4-11(2)17-22-14/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyXRDWWLJHHWPBSU-UHFFFAOYSA-N
XLogP1.49
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(6R)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97475308
(3-methyl-1,2-oxazol-5-yl)-[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97477062
[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylindazol-3-yl)methanone
CID 97475300
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
[(7S)-7-(ethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97463361
(E)-1-[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 131649055
[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-2-ylmethanone
CID 97474798
1-[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 97474682
[(3S)-3-(2-ethoxyethoxy)pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 136580602
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56888109
1-[6-(cyclobutylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 133141687
2-cyclopropyl-1-[(6S)-6-(pyridin-4-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97474718

Frequently Asked Questions

What is the IUPAC name of [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 131650841) is [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is CCOCC1CN(C(=O)c2cc(C)no2)Cc2cncn2C1.
What is the InChIKey of [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is XRDWWLJHHWPBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-21-9-12-6-18(8-13-5-16-10-19(13)7-12)15(20)14-4-11(2)17-22-14/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 131650841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).