5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine

C15H18IN3O2 — CID 155195001

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine
SMILESCc1noc(C)c1-c1cnc(NC2(C)CCOC2)c(I)c1
InChIInChI=1S/C15H18IN3O2/c1-9-13(10(2)21-19-9)11-6-12(16)14(17-7-11)18-15(3)4-5-20-8-15/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyQLTCECQEULKGSY-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.55
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine (PubChem CID 155195001) has the molecular formula C15H18IN3O2 and a molecular weight of 399.23 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine
PubChem CID155195001
Molecular FormulaC15H18IN3O2
Molecular Weight399.23 g/mol
Exact Mass399.04
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine
SMILESCc1noc(C)c1-c1cnc(NC2(C)CCOC2)c(I)c1
InChIInChI=1S/C15H18IN3O2/c1-9-13(10(2)21-19-9)11-6-12(16)14(17-7-11)18-15(3)4-5-20-8-15/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyQLTCECQEULKGSY-UHFFFAOYSA-N
XLogP3.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine (CID 155195001) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine is Cc1noc(C)c1-c1cnc(NC2(C)CCOC2)c(I)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine?
The InChIKey is QLTCECQEULKGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2/c1-9-13(10(2)21-19-9)11-6-12(16)14(17-7-11)18-15(3)4-5-20-8-15/h6-7H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine has a molecular weight of 399.23 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-N-(3-methyloxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 155195001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).