N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide

C14H16ClN3O3S — CID 162802327

IUPACN-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C14H16ClN3O3S/c1-22(19,20)17-6-12-8-18-13(7-16-14(18)9-21-12)10-2-4-11(15)5-3-10/h2-5,7,12,17H,6,8-9H2,1H3
InChIKeyZZNZZABMGLJVPI-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.65
Rot. Bonds4

About N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide

N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide (PubChem CID 162802327) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
PubChem CID162802327
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC NameN-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C14H16ClN3O3S/c1-22(19,20)17-6-12-8-18-13(7-16-14(18)9-21-12)10-2-4-11(15)5-3-10/h2-5,7,12,17H,6,8-9H2,1H3
InChIKeyZZNZZABMGLJVPI-UHFFFAOYSA-N
XLogP1.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide (CID 162802327) is N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The InChIKey is ZZNZZABMGLJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-22(19,20)17-6-12-8-18-13(7-16-14(18)9-21-12)10-2-4-11(15)5-3-10/h2-5,7,12,17H,6,8-9H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 162802327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).