N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine

C22H21FN4O2 — CID 42567777

IUPACN-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine
SMILESCOc1cc(-c2nc(CN(C)Cc3ccc4nccnc4c3)c(C)o2)ccc1F
InChIInChI=1S/C22H21FN4O2/c1-14-20(26-22(29-14)16-5-6-17(23)21(11-16)28-3)13-27(2)12-15-4-7-18-19(10-15)25-9-8-24-18/h4-11H,12-13H2,1-3H3
InChIKeyMPXZOSLKIBEBPY-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.37
Rot. Bonds6

About N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine

N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine (PubChem CID 42567777) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine
PubChem CID42567777
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine
SMILESCOc1cc(-c2nc(CN(C)Cc3ccc4nccnc4c3)c(C)o2)ccc1F
InChIInChI=1S/C22H21FN4O2/c1-14-20(26-22(29-14)16-5-6-17(23)21(11-16)28-3)13-27(2)12-15-4-7-18-19(10-15)25-9-8-24-18/h4-11H,12-13H2,1-3H3
InChIKeyMPXZOSLKIBEBPY-UHFFFAOYSA-N
XLogP4.37
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
CID 42189865
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
CID 26405916
1-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56870982
1-(2,1,3-benzothiadiazol-5-yl)-N-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25281362
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25281519
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 26393221
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 25479030
4-[[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]methyl]-2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 25369217
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 28957160
N-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45174340
1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56864570
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine?
The IUPAC name of N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine (CID 42567777) is N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine.
What is the SMILES notation for N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine?
The canonical SMILES for N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine is COc1cc(-c2nc(CN(C)Cc3ccc4nccnc4c3)c(C)o2)ccc1F.
What is the InChIKey of N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine?
The InChIKey is MPXZOSLKIBEBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-14-20(26-22(29-14)16-5-6-17(23)21(11-16)28-3)13-27(2)12-15-4-7-18-19(10-15)25-9-8-24-18/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine?
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine has a molecular weight of 392.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine is sourced from PubChem (CID 42567777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).