4-[[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole

C18H26N4O2 — CID 97469108

IUPAC4-[[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOCCN1CCN(Cc2c(C)noc2C)Cc2ccc(C)nc21
InChIInChI=1S/C18H26N4O2/c1-13-5-6-16-11-21(12-17-14(2)20-24-15(17)3)7-8-22(9-10-23-4)18(16)19-13/h5-6H,7-12H2,1-4H3
InChIKeyOKOQNKFGJSDZKT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.46
Rot. Bonds5

About 4-[[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 97469108) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)-8-methyl-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)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID97469108
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-[[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCOCCN1CCN(Cc2c(C)noc2C)Cc2ccc(C)nc21
InChIInChI=1S/C18H26N4O2/c1-13-5-6-16-11-21(12-17-14(2)20-24-15(17)3)7-8-22(9-10-23-4)18(16)19-13/h5-6H,7-12H2,1-4H3
InChIKeyOKOQNKFGJSDZKT-UHFFFAOYSA-N
XLogP2.46
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)-8-methyl-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)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 97469108) is 4-[[1-(2-methoxyethyl)-8-methyl-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)-8-methyl-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)-8-methyl-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)Cc2ccc(C)nc21.
What is the InChIKey of 4-[[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is OKOQNKFGJSDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-5-6-16-11-21(12-17-14(2)20-24-15(17)3)7-8-22(9-10-23-4)18(16)19-13/h5-6H,7-12H2,1-4H3.
What are the key properties of 4-[[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[1-(2-methoxyethyl)-8-methyl-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 330.43 g/mol, XLogP of 2.46, 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)-8-methyl-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 97469108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).