N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine

C18H16N2O — CID 81176893

IUPACN-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine
SMILESc1ccc2c(c1)Cc1ccccc1C2NCc1ccon1
InChIInChI=1S/C18H16N2O/c1-3-7-16-13(5-1)11-14-6-2-4-8-17(14)18(16)19-12-15-9-10-21-20-15/h1-10,18-19H,11-12H2
InChIKeyBLOJPIYWEPCRDM-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.46
Rot. Bonds3

About N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine

N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine (PubChem CID 81176893) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine
PubChem CID81176893
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine
SMILESc1ccc2c(c1)Cc1ccccc1C2NCc1ccon1
InChIInChI=1S/C18H16N2O/c1-3-7-16-13(5-1)11-14-6-2-4-8-17(14)18(16)19-12-15-9-10-21-20-15/h1-10,18-19H,11-12H2
InChIKeyBLOJPIYWEPCRDM-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine (CID 81176893) is N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine is c1ccc2c(c1)Cc1ccccc1C2NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine?
The InChIKey is BLOJPIYWEPCRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-3-7-16-13(5-1)11-14-6-2-4-8-17(14)18(16)19-12-15-9-10-21-20-15/h1-10,18-19H,11-12H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine?
N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine has a molecular weight of 276.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine is sourced from PubChem (CID 81176893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).