(1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine

C16H23N3O — CID 124855106

IUPAC(1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine
SMILESCC[C@@H](c1ccccn1)N(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C16H23N3O/c1-5-15(14-8-6-7-9-17-14)19(4)11-13-10-16(12(2)3)20-18-13/h6-10,12,15H,5,11H2,1-4H3/t15-/m0/s1
InChIKeyYOPNVNYZWBDXAT-HNNXBMFYSA-N
MW273.38 g/mol
LogP3.78
Rot. Bonds6

About (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine

(1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine (PubChem CID 124855106) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine
PubChem CID124855106
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine
SMILESCC[C@@H](c1ccccn1)N(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C16H23N3O/c1-5-15(14-8-6-7-9-17-14)19(4)11-13-10-16(12(2)3)20-18-13/h6-10,12,15H,5,11H2,1-4H3/t15-/m0/s1
InChIKeyYOPNVNYZWBDXAT-HNNXBMFYSA-N
XLogP3.78
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine with MolForge

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Related Compounds

(1S)-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine
CID 99961717
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70760488
N-methyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpropan-1-amine
CID 91837763
N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine
CID 77089907
(1R)-2-methoxy-N-methyl-1-pyridin-2-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 124751761
1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine
CID 77093094
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 70704336
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
N-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 50983050
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91835204

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine?
The IUPAC name of (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine (CID 124855106) is (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine?
The canonical SMILES for (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine is CC[C@@H](c1ccccn1)N(C)Cc1cc(C(C)C)on1.
What is the InChIKey of (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine?
The InChIKey is YOPNVNYZWBDXAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-15(14-8-6-7-9-17-14)19(4)11-13-10-16(12(2)3)20-18-13/h6-10,12,15H,5,11H2,1-4H3/t15-/m0/s1.
What are the key properties of (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine?
(1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 124855106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).