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

C15H17N3O3 — CID 75367318

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESc1cn2c(n1)CO[C@@H](CNCc1ccc3c(c1)OCO3)C2
InChIInChI=1S/C15H17N3O3/c1-2-13-14(21-10-20-13)5-11(1)6-16-7-12-8-18-4-3-17-15(18)9-19-12/h1-5,12,16H,6-10H2/t12-/m0/s1
InChIKeyZLFDQJJYNQLRCP-LBPRGKRZSA-N
MW287.32 g/mol
LogP1.30
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75367318) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75367318
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESc1cn2c(n1)CO[C@@H](CNCc1ccc3c(c1)OCO3)C2
InChIInChI=1S/C15H17N3O3/c1-2-13-14(21-10-20-13)5-11(1)6-16-7-12-8-18-4-3-17-15(18)9-19-12/h1-5,12,16H,6-10H2/t12-/m0/s1
InChIKeyZLFDQJJYNQLRCP-LBPRGKRZSA-N
XLogP1.30
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 75367318) is N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is c1cn2c(n1)CO[C@@H](CNCc1ccc3c(c1)OCO3)C2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is ZLFDQJJYNQLRCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-13-14(21-10-20-13)5-11(1)6-16-7-12-8-18-4-3-17-15(18)9-19-12/h1-5,12,16H,6-10H2/t12-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75367318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).