4,5-dihydro-1,3-oxazole;naphthalen-1-amine

C13H14N2O — CID 175147441

IUPAC4,5-dihydro-1,3-oxazole;naphthalen-1-amine
SMILESC1=NCCO1.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C3H5NO/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-5-3-4-1/h1-7H,11H2;3H,1-2H2
InChIKeyHRLNXUNPKLDBNM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.47
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;naphthalen-1-amine

4,5-dihydro-1,3-oxazole;naphthalen-1-amine (PubChem CID 175147441) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;naphthalen-1-amine.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;naphthalen-1-amine
PubChem CID175147441
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4,5-dihydro-1,3-oxazole;naphthalen-1-amine
SMILESC1=NCCO1.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.C3H5NO/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-5-3-4-1/h1-7H,11H2;3H,1-2H2
InChIKeyHRLNXUNPKLDBNM-UHFFFAOYSA-N
XLogP2.47
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;naphthalen-1-amine?
The IUPAC name of 4,5-dihydro-1,3-oxazole;naphthalen-1-amine (CID 175147441) is 4,5-dihydro-1,3-oxazole;naphthalen-1-amine.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;naphthalen-1-amine?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;naphthalen-1-amine is C1=NCCO1.Nc1cccc2ccccc12.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;naphthalen-1-amine?
The InChIKey is HRLNXUNPKLDBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C3H5NO/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-5-3-4-1/h1-7H,11H2;3H,1-2H2.
What are the key properties of 4,5-dihydro-1,3-oxazole;naphthalen-1-amine?
4,5-dihydro-1,3-oxazole;naphthalen-1-amine has a molecular weight of 214.27 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;naphthalen-1-amine is sourced from PubChem (CID 175147441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).