4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole

C17H24N4O2 — CID 97468936

IUPAC4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOCCN1CCN(Cc2c(C)noc2C)Cc2cccnc21
InChIInChI=1S/C17H24N4O2/c1-13-16(14(2)23-19-13)12-20-7-8-21(9-10-22-3)17-15(11-20)5-4-6-18-17/h4-6H,7-12H2,1-3H3
InChIKeyHEMVYINSQKPKPU-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.16
Rot. Bonds5

About 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 97468936) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID97468936
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOCCN1CCN(Cc2c(C)noc2C)Cc2cccnc21
InChIInChI=1S/C17H24N4O2/c1-13-16(14(2)23-19-13)12-20-7-8-21(9-10-22-3)17-15(11-20)5-4-6-18-17/h4-6H,7-12H2,1-3H3
InChIKeyHEMVYINSQKPKPU-UHFFFAOYSA-N
XLogP2.16
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 97468936) is 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole is COCCN1CCN(Cc2c(C)noc2C)Cc2cccnc21.
What is the InChIKey of 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HEMVYINSQKPKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-16(14(2)23-19-13)12-20-7-8-21(9-10-22-3)17-15(11-20)5-4-6-18-17/h4-6H,7-12H2,1-3H3.
What are the key properties of 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 316.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 97468936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).