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

C15H17N5O — CID 114721127

IUPAC5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1noc(C)c1C(C)n1cncc1-c1ccc(N)nc1
InChIInChI=1S/C15H17N5O/c1-9-15(11(3)21-19-9)10(2)20-8-17-7-13(20)12-4-5-14(16)18-6-12/h4-8,10H,1-3H3,(H2,16,18)
InChIKeyXRBODKLIKYKABZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.74
Rot. Bonds3

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

5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114721127) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114721127
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1noc(C)c1C(C)n1cncc1-c1ccc(N)nc1
InChIInChI=1S/C15H17N5O/c1-9-15(11(3)21-19-9)10(2)20-8-17-7-13(20)12-4-5-14(16)18-6-12/h4-8,10H,1-3H3,(H2,16,18)
InChIKeyXRBODKLIKYKABZ-UHFFFAOYSA-N
XLogP2.74
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine (CID 114721127) is 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine is Cc1noc(C)c1C(C)n1cncc1-c1ccc(N)nc1.
What is the InChIKey of 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is XRBODKLIKYKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-15(11(3)21-19-9)10(2)20-8-17-7-13(20)12-4-5-14(16)18-6-12/h4-8,10H,1-3H3,(H2,16,18).
What are the key properties of 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114721127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).