1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine

C21H22N4O3 — CID 75367589

IUPAC1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)c1
InChIInChI=1S/C21H22N4O3/c1-2-15(9-22-5-1)10-23-11-17-13-25-18(12-24-21(25)14-28-17)16-3-4-19-20(8-16)27-7-6-26-19/h1-5,8-9,12,17,23H,6-7,10-11,13-14H2/t17-/m0/s1
InChIKeyNZMWELPLULCFSC-KRWDZBQOSA-N
MW378.43 g/mol
LogP2.40
Rot. Bonds5

About 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine

1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 75367589) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID75367589
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)c1
InChIInChI=1S/C21H22N4O3/c1-2-15(9-22-5-1)10-23-11-17-13-25-18(12-24-21(25)14-28-17)16-3-4-19-20(8-16)27-7-6-26-19/h1-5,8-9,12,17,23H,6-7,10-11,13-14H2/t17-/m0/s1
InChIKeyNZMWELPLULCFSC-KRWDZBQOSA-N
XLogP2.40
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 75367589) is 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine is c1cncc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)c1.
What is the InChIKey of 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is NZMWELPLULCFSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-15(9-22-5-1)10-23-11-17-13-25-18(12-24-21(25)14-28-17)16-3-4-19-20(8-16)27-7-6-26-19/h1-5,8-9,12,17,23H,6-7,10-11,13-14H2/t17-/m0/s1.
What are the key properties of 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine?
1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 378.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 75367589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).