5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine

C13H14N2O — CID 117305645

IUPAC5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2cc(N)no2)c2c1CCC2
InChIInChI=1S/C13H14N2O/c1-8-5-6-11(10-4-2-3-9(8)10)12-7-13(14)15-16-12/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKeyQZZQQYRFCOSJJZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.72
Rot. Bonds1

About 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine

5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine (PubChem CID 117305645) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine
PubChem CID117305645
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2cc(N)no2)c2c1CCC2
InChIInChI=1S/C13H14N2O/c1-8-5-6-11(10-4-2-3-9(8)10)12-7-13(14)15-16-12/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKeyQZZQQYRFCOSJJZ-UHFFFAOYSA-N
XLogP2.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,3-dihydro-1H-inden-5-ol
CID 137003431
5-(2,3-dihydro-1-benzothiophen-4-yl)-1,2-oxazol-3-amine
CID 117311098
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 117325876
6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol
CID 137013109
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-(3-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199204
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
5-(4-tert-butyl-2,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 82478638
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine (CID 117305645) is 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine is Cc1ccc(-c2cc(N)no2)c2c1CCC2.
What is the InChIKey of 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine?
The InChIKey is QZZQQYRFCOSJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-5-6-11(10-4-2-3-9(8)10)12-7-13(14)15-16-12/h5-7H,2-4H2,1H3,(H2,14,15).
What are the key properties of 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine?
5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine has a molecular weight of 214.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-2,3-dihydro-1H-inden-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117305645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).