N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline

C14H19N3O — CID 97160764

IUPACN,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline
SMILESC[C@H](NCc1ccon1)c1ccccc1N(C)C
InChIInChI=1S/C14H19N3O/c1-11(15-10-12-8-9-18-16-12)13-6-4-5-7-14(13)17(2)3/h4-9,11,15H,10H2,1-3H3/t11-/m0/s1
InChIKeyAPDXKJJGXKYGBB-NSHDSACASA-N
MW245.33 g/mol
LogP2.59
Rot. Bonds5

About N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline

N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline (PubChem CID 97160764) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline
PubChem CID97160764
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline
SMILESC[C@H](NCc1ccon1)c1ccccc1N(C)C
InChIInChI=1S/C14H19N3O/c1-11(15-10-12-8-9-18-16-12)13-6-4-5-7-14(13)17(2)3/h4-9,11,15H,10H2,1-3H3/t11-/m0/s1
InChIKeyAPDXKJJGXKYGBB-NSHDSACASA-N
XLogP2.59
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline (CID 97160764) is N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline is C[C@H](NCc1ccon1)c1ccccc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline?
The InChIKey is APDXKJJGXKYGBB-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(15-10-12-8-9-18-16-12)13-6-4-5-7-14(13)17(2)3/h4-9,11,15H,10H2,1-3H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline?
N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S)-1-(1,2-oxazol-3-ylmethylamino)ethyl]aniline is sourced from PubChem (CID 97160764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).