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

C18H27N5O — CID 97466998

IUPAC3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCc2ncc(CN3CCCC3)n2CC1
InChIInChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)13-22-8-5-18-19-11-16(23(18)10-9-22)12-21-6-3-4-7-21/h11H,3-10,12-13H2,1-2H3
InChIKeyGRAMVUDMXUULGD-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.14
Rot. Bonds4

About 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

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 (PubChem CID 97466998) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
PubChem CID97466998
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCc2ncc(CN3CCCC3)n2CC1
InChIInChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)13-22-8-5-18-19-11-16(23(18)10-9-22)12-21-6-3-4-7-21/h11H,3-10,12-13H2,1-2H3
InChIKeyGRAMVUDMXUULGD-UHFFFAOYSA-N
XLogP2.14
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CN1CCc2ncc(CN3CCCC3)n2CC1.
What is the InChIKey of 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?
The InChIKey is GRAMVUDMXUULGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14-17(15(2)24-20-14)13-22-8-5-18-19-11-16(23(18)10-9-22)12-21-6-3-4-7-21/h11H,3-10,12-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 329.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97466998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).