1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

C17H19FN4O2 — CID 56864570

IUPAC1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
SMILESCOc1ccc(F)c(-c2nc(CN(C)Cc3ncc[nH]3)c(C)o2)c1
InChIInChI=1S/C17H19FN4O2/c1-11-15(9-22(2)10-16-19-6-7-20-16)21-17(24-11)13-8-12(23-3)4-5-14(13)18/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyRZNFCYLBESKMJC-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine (PubChem CID 56864570) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
PubChem CID56864570
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
SMILESCOc1ccc(F)c(-c2nc(CN(C)Cc3ncc[nH]3)c(C)o2)c1
InChIInChI=1S/C17H19FN4O2/c1-11-15(9-22(2)10-16-19-6-7-20-16)21-17(24-11)13-8-12(23-3)4-5-14(13)18/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyRZNFCYLBESKMJC-UHFFFAOYSA-N
XLogP3.15
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56867120
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
CID 56870547
1-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56870982
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 26393221
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine
CID 95226151
(1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 25298863
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56741138
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 45186835
N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
CID 26318638
(2S,6R)-4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 29258727
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42462882
N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
CID 42156732

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine (CID 56864570) is 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine is COc1ccc(F)c(-c2nc(CN(C)Cc3ncc[nH]3)c(C)o2)c1.
What is the InChIKey of 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The InChIKey is RZNFCYLBESKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-15(9-22(2)10-16-19-6-7-20-16)21-17(24-11)13-8-12(23-3)4-5-14(13)18/h4-8H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine has a molecular weight of 330.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 56864570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).