(1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine

C10H19N3O — CID 82398733

IUPAC(1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc([C@H](C)N)oc1CCN(C)C
InChIInChI=1S/C10H19N3O/c1-7(11)10-12-8(2)9(14-10)5-6-13(3)4/h7H,5-6,11H2,1-4H3/t7-/m0/s1
InChIKeyAACDKNGUYAGFLJ-ZETCQYMHSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds4

About (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine

(1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine (PubChem CID 82398733) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine
PubChem CID82398733
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1nc([C@H](C)N)oc1CCN(C)C
InChIInChI=1S/C10H19N3O/c1-7(11)10-12-8(2)9(14-10)5-6-13(3)4/h7H,5-6,11H2,1-4H3/t7-/m0/s1
InChIKeyAACDKNGUYAGFLJ-ZETCQYMHSA-N
XLogP1.11
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine (CID 82398733) is (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine is Cc1nc([C@H](C)N)oc1CCN(C)C.
What is the InChIKey of (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine?
The InChIKey is AACDKNGUYAGFLJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(11)10-12-8(2)9(14-10)5-6-13(3)4/h7H,5-6,11H2,1-4H3/t7-/m0/s1.
What are the key properties of (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine?
(1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[2-(dimethylamino)ethyl]-4-methyl-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82398733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).