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

C19H26FN3O2 — CID 95226151

IUPACN-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine
SMILESCOc1ccc(F)c(-c2nc(CN(C)C[C@@H]3CCCNC3)c(C)o2)c1
InChIInChI=1S/C19H26FN3O2/c1-13-18(12-23(2)11-14-5-4-8-21-10-14)22-19(25-13)16-9-15(24-3)6-7-17(16)20/h6-7,9,14,21H,4-5,8,10-12H2,1-3H3/t14-/m1/s1
InChIKeyGLAALTCTQMQZNE-CQSZACIVSA-N
MW347.43 g/mol
LogP3.23
Rot. Bonds6

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

N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine (PubChem CID 95226151) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine
PubChem CID95226151
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine
SMILESCOc1ccc(F)c(-c2nc(CN(C)C[C@@H]3CCCNC3)c(C)o2)c1
InChIInChI=1S/C19H26FN3O2/c1-13-18(12-23(2)11-14-5-4-8-21-10-14)22-19(25-13)16-9-15(24-3)6-7-17(16)20/h6-7,9,14,21H,4-5,8,10-12H2,1-3H3/t14-/m1/s1
InChIKeyGLAALTCTQMQZNE-CQSZACIVSA-N
XLogP3.23
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56864570
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
(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)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 95551737
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
(2S,6R)-4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 29258727
N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642921
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56741138
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine?
The IUPAC name of N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine (CID 95226151) is N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine.
What is the SMILES notation for N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine?
The canonical SMILES for N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine is COc1ccc(F)c(-c2nc(CN(C)C[C@@H]3CCCNC3)c(C)o2)c1.
What is the InChIKey of N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine?
The InChIKey is GLAALTCTQMQZNE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13-18(12-23(2)11-14-5-4-8-21-10-14)22-19(25-13)16-9-15(24-3)6-7-17(16)20/h6-7,9,14,21H,4-5,8,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine?
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine has a molecular weight of 347.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-[(3R)-piperidin-3-yl]methanamine is sourced from PubChem (CID 95226151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).