(1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine

C19H21N3O2 — CID 97347457

IUPAC(1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCc1cnc([C@H](C)NCc2ccccc2OCc2cccnc2)o1
InChIInChI=1S/C19H21N3O2/c1-14-10-22-19(24-14)15(2)21-12-17-7-3-4-8-18(17)23-13-16-6-5-9-20-11-16/h3-11,15,21H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyVRRNZNXSRYGFTL-HNNXBMFYSA-N
MW323.40 g/mol
LogP3.81
Rot. Bonds7

About (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine

(1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 97347457) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID97347457
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCc1cnc([C@H](C)NCc2ccccc2OCc2cccnc2)o1
InChIInChI=1S/C19H21N3O2/c1-14-10-22-19(24-14)15(2)21-12-17-7-3-4-8-18(17)23-13-16-6-5-9-20-11-16/h3-11,15,21H,12-13H2,1-2H3/t15-/m0/s1
InChIKeyVRRNZNXSRYGFTL-HNNXBMFYSA-N
XLogP3.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893432
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine
CID 119111085
2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119111201
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 113365416
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine (CID 97347457) is (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine is Cc1cnc([C@H](C)NCc2ccccc2OCc2cccnc2)o1.
What is the InChIKey of (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is VRRNZNXSRYGFTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-10-22-19(24-14)15(2)21-12-17-7-3-4-8-18(17)23-13-16-6-5-9-20-11-16/h3-11,15,21H,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
(1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 323.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 97347457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).