2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C11H11ClN2OS — CID 121204837

IUPAC2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESClCc1cn2c(n1)COC(c1cccs1)C2
InChIInChI=1S/C11H11ClN2OS/c12-4-8-5-14-6-9(10-2-1-3-16-10)15-7-11(14)13-8/h1-3,5,9H,4,6-7H2
InChIKeySGYULXKVHCBVTN-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.95
Rot. Bonds2

About 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 121204837) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID121204837
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESClCc1cn2c(n1)COC(c1cccs1)C2
InChIInChI=1S/C11H11ClN2OS/c12-4-8-5-14-6-9(10-2-1-3-16-10)15-7-11(14)13-8/h1-3,5,9H,4,6-7H2
InChIKeySGYULXKVHCBVTN-UHFFFAOYSA-N
XLogP2.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 171109820
N,N-dimethyl-2-[(1-methylimidazol-2-yl)-thiophen-2-ylmethoxy]ethanamine
CID 9795299
5-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-1-methylimidazole
CID 89532749
5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-methylimidazole
CID 89532823
1-chloro-5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-2-methylimidazole
CID 118974737
4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-1-methylimidazole
CID 132196273
5-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1,2-dimethylimidazole
CID 148364259
(8S)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421743
(8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421744
(8R)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421875
(8S)-3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421876

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 121204837) is 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is ClCc1cn2c(n1)COC(c1cccs1)C2.
What is the InChIKey of 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is SGYULXKVHCBVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-4-8-5-14-6-9(10-2-1-3-16-10)15-7-11(14)13-8/h1-3,5,9H,4,6-7H2.
What are the key properties of 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 254.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 121204837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).