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

C17H18FN3O3 — CID 56868720

IUPACN-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCOc1ccc(-c2nc(CN(C)Cc3ccon3)c(C)o2)c(F)c1
InChIInChI=1S/C17H18FN3O3/c1-11-16(10-21(2)9-12-6-7-23-20-12)19-17(24-11)14-5-4-13(22-3)8-15(14)18/h4-8H,9-10H2,1-3H3
InChIKeyHPQGAOODLRBHCI-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.42
Rot. Bonds6

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

N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 56868720) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
PubChem CID56868720
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCOc1ccc(-c2nc(CN(C)Cc3ccon3)c(C)o2)c(F)c1
InChIInChI=1S/C17H18FN3O3/c1-11-16(10-21(2)9-12-6-7-23-20-12)19-17(24-11)14-5-4-13(22-3)8-15(14)18/h4-8H,9-10H2,1-3H3
InChIKeyHPQGAOODLRBHCI-UHFFFAOYSA-N
XLogP3.42
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (CID 56868720) is N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is COc1ccc(-c2nc(CN(C)Cc3ccon3)c(C)o2)c(F)c1.
What is the InChIKey of N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is HPQGAOODLRBHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-16(10-21(2)9-12-6-7-23-20-12)19-17(24-11)14-5-4-13(22-3)8-15(14)18/h4-8H,9-10H2,1-3H3.
What are the key properties of N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 331.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 56868720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).