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

C17H23N3O — CID 75367431

IUPACN-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNC(C)C)C3)cc1
InChIInChI=1S/C17H23N3O/c1-12(2)18-8-15-9-20-10-16(19-17(20)11-21-15)14-6-4-13(3)5-7-14/h4-7,10,12,15,18H,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyNGNCVGVEVJKGET-HNNXBMFYSA-N
MW285.39 g/mol
LogP2.76
Rot. Bonds4

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

N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine (PubChem CID 75367431) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine
PubChem CID75367431
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNC(C)C)C3)cc1
InChIInChI=1S/C17H23N3O/c1-12(2)18-8-15-9-20-10-16(19-17(20)11-21-15)14-6-4-13(3)5-7-14/h4-7,10,12,15,18H,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyNGNCVGVEVJKGET-HNNXBMFYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine?
The IUPAC name of N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine (CID 75367431) is N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine is Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC(C)C)C3)cc1.
What is the InChIKey of N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine?
The InChIKey is NGNCVGVEVJKGET-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)18-8-15-9-20-10-16(19-17(20)11-21-15)14-6-4-13(3)5-7-14/h4-7,10,12,15,18H,8-9,11H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine?
N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]propan-2-amine is sourced from PubChem (CID 75367431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).