N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine

C15H18N2O2 — CID 155129472

IUPACN-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine
SMILESCNCC[C@@H]1OCCc2c(-c3cocn3)cccc21
InChIInChI=1S/C15H18N2O2/c1-16-7-5-15-13-4-2-3-12(11(13)6-8-19-15)14-9-18-10-17-14/h2-4,9-10,15-16H,5-8H2,1H3/t15-/m0/s1
InChIKeyZAWOUVTZLMQKKM-HNNXBMFYSA-N
MW258.32 g/mol
LogP2.56
Rot. Bonds4

About N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine

N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine (PubChem CID 155129472) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine
PubChem CID155129472
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine
SMILESCNCC[C@@H]1OCCc2c(-c3cocn3)cccc21
InChIInChI=1S/C15H18N2O2/c1-16-7-5-15-13-4-2-3-12(11(13)6-8-19-15)14-9-18-10-17-14/h2-4,9-10,15-16H,5-8H2,1H3/t15-/m0/s1
InChIKeyZAWOUVTZLMQKKM-HNNXBMFYSA-N
XLogP2.56
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine (CID 155129472) is N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine is CNCC[C@@H]1OCCc2c(-c3cocn3)cccc21.
What is the InChIKey of N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine?
The InChIKey is ZAWOUVTZLMQKKM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-7-5-15-13-4-2-3-12(11(13)6-8-19-15)14-9-18-10-17-14/h2-4,9-10,15-16H,5-8H2,1H3/t15-/m0/s1.
What are the key properties of N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine?
N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine has a molecular weight of 258.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]ethanamine is sourced from PubChem (CID 155129472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).