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

C16H18ClN3O3 — CID 75411314

IUPACN-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C16H18ClN3O3/c1-22-10-16(21)19-6-13-8-20-14(7-18-15(20)9-23-13)11-2-4-12(17)5-3-11/h2-5,7,13H,6,8-10H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyKTGPXPDHYSRYHO-ZDUSSCGKSA-N
MW335.79 g/mol
LogP1.86
Rot. Bonds5

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

N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide (PubChem CID 75411314) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide
PubChem CID75411314
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C16H18ClN3O3/c1-22-10-16(21)19-6-13-8-20-14(7-18-15(20)9-23-13)11-2-4-12(17)5-3-11/h2-5,7,13H,6,8-10H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyKTGPXPDHYSRYHO-ZDUSSCGKSA-N
XLogP1.86
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide (CID 75411314) is N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1.
What is the InChIKey of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide?
The InChIKey is KTGPXPDHYSRYHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-22-10-16(21)19-6-13-8-20-14(7-18-15(20)9-23-13)11-2-4-12(17)5-3-11/h2-5,7,13H,6,8-10H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide?
N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide has a molecular weight of 335.79 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75411314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).