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

C18H27N5O2 — CID 118746781

IUPAC4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESCc1noc(C)c1CN1Cc2nccn2CC(CN2CCOCC2)C1
InChIInChI=1S/C18H27N5O2/c1-14-17(15(2)25-20-14)12-22-10-16(9-21-5-7-24-8-6-21)11-23-4-3-19-18(23)13-22/h3-4,16H,5-13H2,1-2H3
InChIKeyDFOWLICBXFNMTN-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.45
Rot. Bonds4

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

4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine (PubChem CID 118746781) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
PubChem CID118746781
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESCc1noc(C)c1CN1Cc2nccn2CC(CN2CCOCC2)C1
InChIInChI=1S/C18H27N5O2/c1-14-17(15(2)25-20-14)12-22-10-16(9-21-5-7-24-8-6-21)11-23-4-3-19-18(23)13-22/h3-4,16H,5-13H2,1-2H3
InChIKeyDFOWLICBXFNMTN-UHFFFAOYSA-N
XLogP1.45
TPSA59.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine (CID 118746781) is 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine is Cc1noc(C)c1CN1Cc2nccn2CC(CN2CCOCC2)C1.
What is the InChIKey of 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
The InChIKey is DFOWLICBXFNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-17(15(2)25-20-14)12-22-10-16(9-21-5-7-24-8-6-21)11-23-4-3-19-18(23)13-22/h3-4,16H,5-13H2,1-2H3.
What are the key properties of 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine?
4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine has a molecular weight of 345.45 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine is sourced from PubChem (CID 118746781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).