N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine

C11H12N4O — CID 4840440

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine
SMILESCc1noc(C)c1C=NNc1ccccn1
InChIInChI=1S/C11H12N4O/c1-8-10(9(2)16-15-8)7-13-14-11-5-3-4-6-12-11/h3-7H,1-2H3,(H,12,14)
InChIKeyVLDGNTVZKJEMNM-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.13
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine (PubChem CID 4840440) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine
PubChem CID4840440
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine
SMILESCc1noc(C)c1C=NNc1ccccn1
InChIInChI=1S/C11H12N4O/c1-8-10(9(2)16-15-8)7-13-14-11-5-3-4-6-12-11/h3-7H,1-2H3,(H,12,14)
InChIKeyVLDGNTVZKJEMNM-UHFFFAOYSA-N
XLogP2.13
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine (CID 4840440) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine is Cc1noc(C)c1C=NNc1ccccn1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine?
The InChIKey is VLDGNTVZKJEMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-10(9(2)16-15-8)7-13-14-11-5-3-4-6-12-11/h3-7H,1-2H3,(H,12,14).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine has a molecular weight of 216.24 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 4840440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).