N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine

C13H16N2O — CID 18634609

IUPACN-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H]1c2ccccc2C[C@H]1NC1=NCCO1
InChIInChI=1S/C13H16N2O/c1-9-11-5-3-2-4-10(11)8-12(9)15-13-14-6-7-16-13/h2-5,9,12H,6-8H2,1H3,(H,14,15)/t9-,12-/m1/s1
InChIKeyBOZHALPHPGCEPG-BXKDBHETSA-N
MW216.28 g/mol
LogP1.69
Rot. Bonds1

About N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine

N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 18634609) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID18634609
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESC[C@@H]1c2ccccc2C[C@H]1NC1=NCCO1
InChIInChI=1S/C13H16N2O/c1-9-11-5-3-2-4-10(11)8-12(9)15-13-14-6-7-16-13/h2-5,9,12H,6-8H2,1H3,(H,14,15)/t9-,12-/m1/s1
InChIKeyBOZHALPHPGCEPG-BXKDBHETSA-N
XLogP1.69
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine (CID 18634609) is N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine is C[C@@H]1c2ccccc2C[C@H]1NC1=NCCO1.
What is the InChIKey of N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BOZHALPHPGCEPG-BXKDBHETSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-11-5-3-2-4-10(11)8-12(9)15-13-14-6-7-16-13/h2-5,9,12H,6-8H2,1H3,(H,14,15)/t9-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 216.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 18634609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).