N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine

C22H24FN3O2 — CID 28957509

IUPACN-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCc1oc(-c2cccc(F)c2)nc1CN(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C22H24FN3O2/c1-16-21(25-22(28-16)18-4-2-5-19(23)12-18)15-26(14-20-6-3-11-27-20)13-17-7-9-24-10-8-17/h2,4-5,7-10,12,20H,3,6,11,13-15H2,1H3/t20-/m1/s1
InChIKeyBXYLUYNTPJFLNQ-HXUWFJFHSA-N
MW381.45 g/mol
LogP4.37
Rot. Bonds7

About N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine

N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 28957509) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID28957509
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCc1oc(-c2cccc(F)c2)nc1CN(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C22H24FN3O2/c1-16-21(25-22(28-16)18-4-2-5-19(23)12-18)15-26(14-20-6-3-11-27-20)13-17-7-9-24-10-8-17/h2,4-5,7-10,12,20H,3,6,11,13-15H2,1H3/t20-/m1/s1
InChIKeyBXYLUYNTPJFLNQ-HXUWFJFHSA-N
XLogP4.37
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 26316967
N-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45177571
N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45235431
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 74230946
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46954474
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 45186835
2-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol
CID 46984901
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile
CID 56663495
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
N-[(3-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 49309251

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine (CID 28957509) is N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine is Cc1oc(-c2cccc(F)c2)nc1CN(Cc1ccncc1)C[C@H]1CCCO1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is BXYLUYNTPJFLNQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16-21(25-22(28-16)18-4-2-5-19(23)12-18)15-26(14-20-6-3-11-27-20)13-17-7-9-24-10-8-17/h2,4-5,7-10,12,20H,3,6,11,13-15H2,1H3/t20-/m1/s1.
What are the key properties of N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine?
N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 381.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 28957509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).