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

C13H17N3O — CID 28781004

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1noc(C)c1CNCCc1ccccn1
InChIInChI=1S/C13H17N3O/c1-10-13(11(2)17-16-10)9-14-8-6-12-5-3-4-7-15-12/h3-5,7,14H,6,8-9H2,1-2H3
InChIKeySQRSLKGSYBSHIW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 28781004) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID28781004
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1noc(C)c1CNCCc1ccccn1
InChIInChI=1S/C13H17N3O/c1-10-13(11(2)17-16-10)9-14-8-6-12-5-3-4-7-15-12/h3-5,7,14H,6,8-9H2,1-2H3
InChIKeySQRSLKGSYBSHIW-UHFFFAOYSA-N
XLogP2.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine (CID 28781004) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine is Cc1noc(C)c1CNCCc1ccccn1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is SQRSLKGSYBSHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-13(11(2)17-16-10)9-14-8-6-12-5-3-4-7-15-12/h3-5,7,14H,6,8-9H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 28781004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).