(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine

C14H19N3O — CID 95210403

IUPAC(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine
SMILESCC[C@@H](c1ccccn1)N(C)Cc1coc(C)n1
InChIInChI=1S/C14H19N3O/c1-4-14(13-7-5-6-8-15-13)17(3)9-12-10-18-11(2)16-12/h5-8,10,14H,4,9H2,1-3H3/t14-/m0/s1
InChIKeyNCWDSCIQYDXUOF-AWEZNQCLSA-N
MW245.33 g/mol
LogP2.96
Rot. Bonds5

About (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine

(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine (PubChem CID 95210403) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine
PubChem CID95210403
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine
SMILESCC[C@@H](c1ccccn1)N(C)Cc1coc(C)n1
InChIInChI=1S/C14H19N3O/c1-4-14(13-7-5-6-8-15-13)17(3)9-12-10-18-11(2)16-12/h5-8,10,14H,4,9H2,1-3H3/t14-/m0/s1
InChIKeyNCWDSCIQYDXUOF-AWEZNQCLSA-N
XLogP2.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine?
The IUPAC name of (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine (CID 95210403) is (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine?
The canonical SMILES for (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine is CC[C@@H](c1ccccn1)N(C)Cc1coc(C)n1.
What is the InChIKey of (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine?
The InChIKey is NCWDSCIQYDXUOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-14(13-7-5-6-8-15-13)17(3)9-12-10-18-11(2)16-12/h5-8,10,14H,4,9H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine?
(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 95210403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).