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

C18H29N5O — CID 97466970

IUPACN-[[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
SMILESCCN(CC)Cc1cnc2n1CCN(Cc1c(C)noc1C)CC2
InChIInChI=1S/C18H29N5O/c1-5-21(6-2)12-16-11-19-18-7-8-22(9-10-23(16)18)13-17-14(3)20-24-15(17)4/h11H,5-10,12-13H2,1-4H3
InChIKeyQECLOUIAPDPCPQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.39
Rot. Bonds6

About 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

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 (PubChem CID 97466970) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID97466970
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-[[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
SMILESCCN(CC)Cc1cnc2n1CCN(Cc1c(C)noc1C)CC2
InChIInChI=1S/C18H29N5O/c1-5-21(6-2)12-16-11-19-18-7-8-22(9-10-23(16)18)13-17-14(3)20-24-15(17)4/h11H,5-10,12-13H2,1-4H3
InChIKeyQECLOUIAPDPCPQ-UHFFFAOYSA-N
XLogP2.39
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)Cc1cnc2n1CCN(Cc1c(C)noc1C)CC2.
What is the InChIKey of 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?
The InChIKey is QECLOUIAPDPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-5-21(6-2)12-16-11-19-18-7-8-22(9-10-23(16)18)13-17-14(3)20-24-15(17)4/h11H,5-10,12-13H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 331.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97466970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).