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

C19H22FN3O3 — CID 56917718

IUPAC1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
SMILESCCc1cc(CN(C)Cc2nc(-c3ccc(OC)cc3F)oc2C)on1
InChIInChI=1S/C19H22FN3O3/c1-5-13-8-15(26-22-13)10-23(3)11-18-12(2)25-19(21-18)16-7-6-14(24-4)9-17(16)20/h6-9H,5,10-11H2,1-4H3
InChIKeyAWEXUNOTQRMVBR-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.98
Rot. Bonds7

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

1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 56917718) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
PubChem CID56917718
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
SMILESCCc1cc(CN(C)Cc2nc(-c3ccc(OC)cc3F)oc2C)on1
InChIInChI=1S/C19H22FN3O3/c1-5-13-8-15(26-22-13)10-23(3)11-18-12(2)25-19(21-18)16-7-6-14(24-4)9-17(16)20/h6-9H,5,10-11H2,1-4H3
InChIKeyAWEXUNOTQRMVBR-UHFFFAOYSA-N
XLogP3.98
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine (CID 56917718) is 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine is CCc1cc(CN(C)Cc2nc(-c3ccc(OC)cc3F)oc2C)on1.
What is the InChIKey of 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is AWEXUNOTQRMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-5-13-8-15(26-22-13)10-23(3)11-18-12(2)25-19(21-18)16-7-6-14(24-4)9-17(16)20/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 359.40 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2-oxazol-5-yl)-N-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 56917718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).