2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine

C20H20N2O2 — CID 10853146

IUPAC2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine
SMILESCOC[C@@H]1N=C(C2=C(N)c3ccccc3C2)O[C@H]1c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-23-12-17-19(13-7-3-2-4-8-13)24-20(22-17)16-11-14-9-5-6-10-15(14)18(16)21/h2-10,17,19H,11-12,21H2,1H3/t17-,19-/m0/s1
InChIKeyDTXVGMYRDRRVNA-HKUYNNGSSA-N
MW320.39 g/mol
LogP3.10
Rot. Bonds4

About 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine

2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine (PubChem CID 10853146) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine.

Molecular Properties

Compound Name2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine
PubChem CID10853146
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine
SMILESCOC[C@@H]1N=C(C2=C(N)c3ccccc3C2)O[C@H]1c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-23-12-17-19(13-7-3-2-4-8-13)24-20(22-17)16-11-14-9-5-6-10-15(14)18(16)21/h2-10,17,19H,11-12,21H2,1H3/t17-,19-/m0/s1
InChIKeyDTXVGMYRDRRVNA-HKUYNNGSSA-N
XLogP3.10
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine?
The IUPAC name of 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine (CID 10853146) is 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine.
What is the SMILES notation for 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine?
The canonical SMILES for 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine is COC[C@@H]1N=C(C2=C(N)c3ccccc3C2)O[C@H]1c1ccccc1.
What is the InChIKey of 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine?
The InChIKey is DTXVGMYRDRRVNA-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-12-17-19(13-7-3-2-4-8-13)24-20(22-17)16-11-14-9-5-6-10-15(14)18(16)21/h2-10,17,19H,11-12,21H2,1H3/t17-,19-/m0/s1.
What are the key properties of 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine?
2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine has a molecular weight of 320.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3H-inden-1-amine is sourced from PubChem (CID 10853146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).