N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

C18H22F2N2O2 — CID 26316967

IUPACN-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1nc(-c2cc(F)cc(F)c2)oc1C)C[C@@H]1CCCO1
InChIInChI=1S/C18H22F2N2O2/c1-3-22(10-16-5-4-6-23-16)11-17-12(2)24-18(21-17)13-7-14(19)9-15(20)8-13/h7-9,16H,3-6,10-11H2,1-2H3/t16-/m0/s1
InChIKeyXVISNWSKUZKNFS-INIZCTEOSA-N
MW336.38 g/mol
LogP3.93
Rot. Bonds6

About N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine

N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (PubChem CID 26316967) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
PubChem CID26316967
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC NameN-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1nc(-c2cc(F)cc(F)c2)oc1C)C[C@@H]1CCCO1
InChIInChI=1S/C18H22F2N2O2/c1-3-22(10-16-5-4-6-23-16)11-17-12(2)24-18(21-17)13-7-14(19)9-15(20)8-13/h7-9,16H,3-6,10-11H2,1-2H3/t16-/m0/s1
InChIKeyXVISNWSKUZKNFS-INIZCTEOSA-N
XLogP3.93
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 45186835
N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 28957509
N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 45245587
N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45235431
N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45177571
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646762
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137313956
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 42197072
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 61434796
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880699

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine (CID 26316967) is N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is CCN(Cc1nc(-c2cc(F)cc(F)c2)oc1C)C[C@@H]1CCCO1.
What is the InChIKey of N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is XVISNWSKUZKNFS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-3-22(10-16-5-4-6-23-16)11-17-12(2)24-18(21-17)13-7-14(19)9-15(20)8-13/h7-9,16H,3-6,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine?
N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 336.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 26316967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).