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

C15H17N7O2 — CID 97467143

IUPAC(5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCc3ncc(Cn4cncn4)n3CC2)no1
InChIInChI=1S/C15H17N7O2/c1-11-6-13(19-24-11)15(23)20-3-2-14-17-7-12(22(14)5-4-20)8-21-10-16-9-18-21/h6-7,9-10H,2-5,8H2,1H3
InChIKeyAFJNUEKXODFIMN-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.52
Rot. Bonds3

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

(5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (PubChem CID 97467143) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
PubChem CID97467143
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCc3ncc(Cn4cncn4)n3CC2)no1
InChIInChI=1S/C15H17N7O2/c1-11-6-13(19-24-11)15(23)20-3-2-14-17-7-12(22(14)5-4-20)8-21-10-16-9-18-21/h6-7,9-10H,2-5,8H2,1H3
InChIKeyAFJNUEKXODFIMN-UHFFFAOYSA-N
XLogP0.52
TPSA94.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155849531
cyclopent-3-en-1-yl-[3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97471216
1H-indol-5-yl-[3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97471207
[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97390192
7-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 131663625
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90571889
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
N,N-dimethyl-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97390202
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(4-butylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;ethane
CID 143166573
7-(furan-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471186
7-(thiophen-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471187

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (CID 97467143) is (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is Cc1cc(C(=O)N2CCc3ncc(Cn4cncn4)n3CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The InChIKey is AFJNUEKXODFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-11-6-13(19-24-11)15(23)20-3-2-14-17-7-12(22(14)5-4-20)8-21-10-16-9-18-21/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone has a molecular weight of 327.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is sourced from PubChem (CID 97467143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).