N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide

C15H17N3O2 — CID 75367225

IUPACN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC[C@H]1Cn2ccnc2CO1
InChIInChI=1S/C15H17N3O2/c19-15(8-12-4-2-1-3-5-12)17-9-13-10-18-7-6-16-14(18)11-20-13/h1-7,13H,8-11H2,(H,17,19)/t13-/m0/s1
InChIKeyWWRQMMSGOCEDFE-ZDUSSCGKSA-N
MW271.32 g/mol
LogP1.14
Rot. Bonds4

About N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide

N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide (PubChem CID 75367225) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
PubChem CID75367225
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC[C@H]1Cn2ccnc2CO1
InChIInChI=1S/C15H17N3O2/c19-15(8-12-4-2-1-3-5-12)17-9-13-10-18-7-6-16-14(18)11-20-13/h1-7,13H,8-11H2,(H,17,19)/t13-/m0/s1
InChIKeyWWRQMMSGOCEDFE-ZDUSSCGKSA-N
XLogP1.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide (CID 75367225) is N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC[C@H]1Cn2ccnc2CO1.
What is the InChIKey of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide?
The InChIKey is WWRQMMSGOCEDFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(8-12-4-2-1-3-5-12)17-9-13-10-18-7-6-16-14(18)11-20-13/h1-7,13H,8-11H2,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide?
N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide has a molecular weight of 271.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 75367225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).