(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine

C21H25N3O2 — CID 125168599

IUPAC(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine
SMILESCOC[C@H](c1ccccn1)N(C)Cc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C21H25N3O2/c1-15-8-10-17(11-9-15)21-23-19(16(2)26-21)13-24(3)20(14-25-4)18-7-5-6-12-22-18/h5-12,20H,13-14H2,1-4H3/t20-/m1/s1
InChIKeyCOEQSICNVCLIOV-HXUWFJFHSA-N
MW351.45 g/mol
LogP4.17
Rot. Bonds7

About (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine

(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine (PubChem CID 125168599) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine
PubChem CID125168599
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine
SMILESCOC[C@H](c1ccccn1)N(C)Cc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C21H25N3O2/c1-15-8-10-17(11-9-15)21-23-19(16(2)26-21)13-24(3)20(14-25-4)18-7-5-6-12-22-18/h5-12,20H,13-14H2,1-4H3/t20-/m1/s1
InChIKeyCOEQSICNVCLIOV-HXUWFJFHSA-N
XLogP4.17
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 99936074
N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 50957317
3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
CID 131894922
(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42244928
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium chloride
CID 24742719
(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 99948017
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040
2-methoxy-N-methyl-1-pyridin-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)ethanamine
CID 163319520
N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 97311968
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium
CID 24742720
N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45235431

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine (CID 125168599) is (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine is COC[C@H](c1ccccn1)N(C)Cc1nc(-c2ccc(C)cc2)oc1C.
What is the InChIKey of (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine?
The InChIKey is COEQSICNVCLIOV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-10-17(11-9-15)21-23-19(16(2)26-21)13-24(3)20(14-25-4)18-7-5-6-12-22-18/h5-12,20H,13-14H2,1-4H3/t20-/m1/s1.
What are the key properties of (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine?
(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine has a molecular weight of 351.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 125168599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).