N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine

C14H12N2O — CID 70701451

IUPACN-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine
SMILESCNc1ncc(-c2cccc3ccccc23)o1
InChIInChI=1S/C14H12N2O/c1-15-14-16-9-13(17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)
InChIKeyNXYMREXFNWASNB-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.54
Rot. Bonds2

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

N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine (PubChem CID 70701451) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine
PubChem CID70701451
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC NameN-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine
SMILESCNc1ncc(-c2cccc3ccccc23)o1
InChIInChI=1S/C14H12N2O/c1-15-14-16-9-13(17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)
InChIKeyNXYMREXFNWASNB-UHFFFAOYSA-N
XLogP3.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine?
The IUPAC name of N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine (CID 70701451) is N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine.
What is the SMILES notation for N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine?
The canonical SMILES for N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine is CNc1ncc(-c2cccc3ccccc23)o1.
What is the InChIKey of N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine?
The InChIKey is NXYMREXFNWASNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-15-14-16-9-13(17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16).
What are the key properties of N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine?
N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine has a molecular weight of 224.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-naphthalen-1-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 70701451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).