(3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide

C14H15N3O — CID 75379267

IUPAC(3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide
SMILESCCc1cccc(N(C#N)Cc2cc(C)on2)c1
InChIInChI=1S/C14H15N3O/c1-3-12-5-4-6-14(8-12)17(10-15)9-13-7-11(2)18-16-13/h4-8H,3,9H2,1-2H3
InChIKeyXJJDJOAKFFKMCM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.03
Rot. Bonds4

About (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide

(3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide (PubChem CID 75379267) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide.

Molecular Properties

Compound Name(3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide
PubChem CID75379267
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide
SMILESCCc1cccc(N(C#N)Cc2cc(C)on2)c1
InChIInChI=1S/C14H15N3O/c1-3-12-5-4-6-14(8-12)17(10-15)9-13-7-11(2)18-16-13/h4-8H,3,9H2,1-2H3
InChIKeyXJJDJOAKFFKMCM-UHFFFAOYSA-N
XLogP3.03
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide?
The IUPAC name of (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide (CID 75379267) is (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide.
What is the SMILES notation for (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide?
The canonical SMILES for (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide is CCc1cccc(N(C#N)Cc2cc(C)on2)c1.
What is the InChIKey of (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide?
The InChIKey is XJJDJOAKFFKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-12-5-4-6-14(8-12)17(10-15)9-13-7-11(2)18-16-13/h4-8H,3,9H2,1-2H3.
What are the key properties of (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide?
(3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide has a molecular weight of 241.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-[(5-methyl-1,2-oxazol-3-yl)methyl]cyanamide is sourced from PubChem (CID 75379267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).