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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Related Compounds

[1-(Isoxazol-3-ylmethyl)piperidin-3-yl](1-naphthyl)methanone
CID 16188677
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CID 11300214
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylcyclohexan-1-amine
CID 71968702
2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)acetamide
CID 56884451
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793481
1-(5-Fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 71860602
N-[(2-fluorophenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79496223
2-N-methyl-1-N-[1-(1,2-oxazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propyl]-1-phenylprop-2-ene-1,2-diamine
CID 145469234
5-(1,2-oxazol-3-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 44210433
5-(4-methyl-1,2-oxazol-3-yl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 44210437
1-[(3-Fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 71856855
2,2,2-trifluoro-N-(1,2-oxazol-3-ylmethyl)-1-phenylethanamine
CID 79002679

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).