N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

C23H21FN2O2S — CID 31783282

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1cccs1
InChIInChI=1S/C23H21FN2O2S/c1-27-22-7-3-2-5-18(22)13-26(15-21-6-4-12-29-21)14-20-16-28-23(25-20)17-8-10-19(24)11-9-17/h2-12,16H,13-15H2,1H3
InChIKeyFMZJNCMTTWGHRY-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.75
Rot. Bonds8

About N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 31783282) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID31783282
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1cccs1
InChIInChI=1S/C23H21FN2O2S/c1-27-22-7-3-2-5-18(22)13-26(15-21-6-4-12-29-21)14-20-16-28-23(25-20)17-8-10-19(24)11-9-17/h2-12,16H,13-15H2,1H3
InChIKeyFMZJNCMTTWGHRY-UHFFFAOYSA-N
XLogP5.75
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 31783282) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is COc1ccccc1CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1cccs1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is FMZJNCMTTWGHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-27-22-7-3-2-5-18(22)13-26(15-21-6-4-12-29-21)14-20-16-28-23(25-20)17-8-10-19(24)11-9-17/h2-12,16H,13-15H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 408.50 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 31783282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).