2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine

C13H15N5O — CID 168592889

IUPAC2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine
SMILESCc1noc(C)c1-c1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C13H15N5O/c1-8-12(9(2)19-18-8)11-5-3-10(4-6-11)7-16-17-13(14)15/h3-7H,1-2H3,(H4,14,15,17)
InChIKeyCIKVDGBMEGWCIZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.57
Rot. Bonds3

About 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine

2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine (PubChem CID 168592889) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine
PubChem CID168592889
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine
SMILESCc1noc(C)c1-c1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C13H15N5O/c1-8-12(9(2)19-18-8)11-5-3-10(4-6-11)7-16-17-13(14)15/h3-7H,1-2H3,(H4,14,15,17)
InChIKeyCIKVDGBMEGWCIZ-UHFFFAOYSA-N
XLogP1.57
TPSA102.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine (CID 168592889) is 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine is Cc1noc(C)c1-c1ccc(C=NN=C(N)N)cc1.
What is the InChIKey of 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine?
The InChIKey is CIKVDGBMEGWCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-12(9(2)19-18-8)11-5-3-10(4-6-11)7-16-17-13(14)15/h3-7H,1-2H3,(H4,14,15,17).
What are the key properties of 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine?
2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine has a molecular weight of 257.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).