N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine

C18H16N2O — CID 11572645

IUPACN-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine
SMILESc1ccc(-c2cnc(Nc3ccc4c(c3)CCC4)o2)cc1
InChIInChI=1S/C18H16N2O/c1-2-5-14(6-3-1)17-12-19-18(21-17)20-16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-12H,4,7-8H2,(H,19,20)
InChIKeyCSRSLTMAJOAKFA-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.57
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine

N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine (PubChem CID 11572645) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine
PubChem CID11572645
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine
SMILESc1ccc(-c2cnc(Nc3ccc4c(c3)CCC4)o2)cc1
InChIInChI=1S/C18H16N2O/c1-2-5-14(6-3-1)17-12-19-18(21-17)20-16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-12H,4,7-8H2,(H,19,20)
InChIKeyCSRSLTMAJOAKFA-UHFFFAOYSA-N
XLogP4.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine (CID 11572645) is N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine is c1ccc(-c2cnc(Nc3ccc4c(c3)CCC4)o2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is CSRSLTMAJOAKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-5-14(6-3-1)17-12-19-18(21-17)20-16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-12H,4,7-8H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine?
N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 11572645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).