(3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide

C15H13N3O — CID 14984019

IUPAC(3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide
SMILESCN1CC(c2cccc3ccccc23)O/C1=N/C#N
InChIInChI=1S/C15H13N3O/c1-18-9-14(19-15(18)17-10-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9H2,1H3/b17-15+
InChIKeyOEMUSYXLBFXTCH-BMRADRMJSA-N
MW251.29 g/mol
LogP2.68
Rot. Bonds1

About (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide

(3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide (PubChem CID 14984019) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide
PubChem CID14984019
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide
SMILESCN1CC(c2cccc3ccccc23)O/C1=N/C#N
InChIInChI=1S/C15H13N3O/c1-18-9-14(19-15(18)17-10-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9H2,1H3/b17-15+
InChIKeyOEMUSYXLBFXTCH-BMRADRMJSA-N
XLogP2.68
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide (CID 14984019) is (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide is CN1CC(c2cccc3ccccc23)O/C1=N/C#N.
What is the InChIKey of (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide?
The InChIKey is OEMUSYXLBFXTCH-BMRADRMJSA-N. The full InChI is InChI=1S/C15H13N3O/c1-18-9-14(19-15(18)17-10-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9H2,1H3/b17-15+.
What are the key properties of (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide?
(3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide has a molecular weight of 251.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-naphthalen-1-yl-1,3-oxazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 14984019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).