5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide

C15H12N2O2 — CID 84579822

IUPAC5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc3ccccc23)o1
InChIInChI=1S/C15H12N2O2/c1-10-9-16-15(19-10)14(18)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,17,18)
InChIKeyGIPOSKBKKGFELI-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.39
Rot. Bonds2

About 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide

5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide (PubChem CID 84579822) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide
PubChem CID84579822
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc3ccccc23)o1
InChIInChI=1S/C15H12N2O2/c1-10-9-16-15(19-10)14(18)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,17,18)
InChIKeyGIPOSKBKKGFELI-UHFFFAOYSA-N
XLogP3.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide (CID 84579822) is 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)Nc2cccc3ccccc23)o1.
What is the InChIKey of 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide?
The InChIKey is GIPOSKBKKGFELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-9-16-15(19-10)14(18)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,17,18).
What are the key properties of 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide?
5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 84579822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).