N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine

C13H12N2O — CID 44578852

IUPACN-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1ccc2cc(NC3=NCCO3)ccc2c1
InChIInChI=1S/C13H12N2O/c1-2-4-11-9-12(6-5-10(11)3-1)15-13-14-7-8-16-13/h1-6,9H,7-8H2,(H,14,15)
InChIKeyDTBTVPPCCUGEGZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.64
Rot. Bonds1

About N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine

N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 44578852) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID44578852
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1ccc2cc(NC3=NCCO3)ccc2c1
InChIInChI=1S/C13H12N2O/c1-2-4-11-9-12(6-5-10(11)3-1)15-13-14-7-8-16-13/h1-6,9H,7-8H2,(H,14,15)
InChIKeyDTBTVPPCCUGEGZ-UHFFFAOYSA-N
XLogP2.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine (CID 44578852) is N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine is c1ccc2cc(NC3=NCCO3)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is DTBTVPPCCUGEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-4-11-9-12(6-5-10(11)3-1)15-13-14-7-8-16-13/h1-6,9H,7-8H2,(H,14,15).
What are the key properties of N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine?
N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 212.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 44578852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).