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

C18H19N3OS — CID 75367382

IUPAC1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccs2)C3)cc1
InChIInChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)17-12-21-11-15(22-13-18(21)20-17)9-19-10-16-7-4-8-23-16/h1-8,12,15,19H,9-11,13H2/t15-/m0/s1
InChIKeyQKGACOMLWCGYDI-HNNXBMFYSA-N
MW325.44 g/mol
LogP3.30
Rot. Bonds5

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

1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 75367382) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID75367382
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccs2)C3)cc1
InChIInChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)17-12-21-11-15(22-13-18(21)20-17)9-19-10-16-7-4-8-23-16/h1-8,12,15,19H,9-11,13H2/t15-/m0/s1
InChIKeyQKGACOMLWCGYDI-HNNXBMFYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (CID 75367382) is 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine is c1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccs2)C3)cc1.
What is the InChIKey of 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is QKGACOMLWCGYDI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)17-12-21-11-15(22-13-18(21)20-17)9-19-10-16-7-4-8-23-16/h1-8,12,15,19H,9-11,13H2/t15-/m0/s1.
What are the key properties of 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 325.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 75367382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).