4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine

C21H22N2O2 — CID 67194458

IUPAC4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4N)o2)cc1
InChIInChI=1S/C21H22N2O2/c1-13(2)24-15-8-6-14(7-9-15)21-23-12-20(25-21)18-5-3-4-17-16(18)10-11-19(17)22/h3-9,12-13,19H,10-11,22H2,1-2H3
InChIKeyMAFXREITPVUEAX-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine

4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 67194458) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine
PubChem CID67194458
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4N)o2)cc1
InChIInChI=1S/C21H22N2O2/c1-13(2)24-15-8-6-14(7-9-15)21-23-12-20(25-21)18-5-3-4-17-16(18)10-11-19(17)22/h3-9,12-13,19H,10-11,22H2,1-2H3
InChIKeyMAFXREITPVUEAX-UHFFFAOYSA-N
XLogP4.74
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine (CID 67194458) is 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC4N)o2)cc1.
What is the InChIKey of 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MAFXREITPVUEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)24-15-8-6-14(7-9-15)21-23-12-20(25-21)18-5-3-4-17-16(18)10-11-19(17)22/h3-9,12-13,19H,10-11,22H2,1-2H3.
What are the key properties of 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine?
4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 334.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-yl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 67194458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).