1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine

C16H25N5O — CID 97466926

IUPAC1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
SMILESCc1noc(C)c1CN1CCc2ncc(CN(C)C)n2CC1
InChIInChI=1S/C16H25N5O/c1-12-15(13(2)22-18-12)11-20-6-5-16-17-9-14(10-19(3)4)21(16)8-7-20/h9H,5-8,10-11H2,1-4H3
InChIKeyVKSIFPKFGXOKNK-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.61
Rot. Bonds4

About 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine

1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine (PubChem CID 97466926) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
PubChem CID97466926
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
SMILESCc1noc(C)c1CN1CCc2ncc(CN(C)C)n2CC1
InChIInChI=1S/C16H25N5O/c1-12-15(13(2)22-18-12)11-20-6-5-16-17-9-14(10-19(3)4)21(16)8-7-20/h9H,5-8,10-11H2,1-4H3
InChIKeyVKSIFPKFGXOKNK-UHFFFAOYSA-N
XLogP1.61
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(4-Imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 3234277
3,5-Dimethyl-4-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53566665
3,5-Dimethyl-4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 53577382
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53612086
4-[[2-(1-Ethoxyethyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 84592407
(5-Methyl-1,2-oxazol-3-yl)-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97390207
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine
CID 97390262
3,5-dimethyl-4-[[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97390267
4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
CID 97390281
3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97392160
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-N-ethylethanamine
CID 97466970
3,5-Dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
CID 97466998

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine (CID 97466926) is 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine is Cc1noc(C)c1CN1CCc2ncc(CN(C)C)n2CC1.
What is the InChIKey of 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is VKSIFPKFGXOKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12-15(13(2)22-18-12)11-20-6-5-16-17-9-14(10-19(3)4)21(16)8-7-20/h9H,5-8,10-11H2,1-4H3.
What are the key properties of 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 303.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97466926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).