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

C12H11N5O — CID 106422521

IUPAC3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1Cc1ccno1
InChIInChI=1S/C12H11N5O/c13-11-2-3-14-5-10(11)12-6-15-8-17(12)7-9-1-4-16-18-9/h1-6,8H,7H2,(H2,13,14)
InChIKeyGRGJEJFCHBGZKJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.56
Rot. Bonds3

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

3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 106422521) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine
PubChem CID106422521
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1Cc1ccno1
InChIInChI=1S/C12H11N5O/c13-11-2-3-14-5-10(11)12-6-15-8-17(12)7-9-1-4-16-18-9/h1-6,8H,7H2,(H2,13,14)
InChIKeyGRGJEJFCHBGZKJ-UHFFFAOYSA-N
XLogP1.56
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine (CID 106422521) is 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1Cc1ccno1.
What is the InChIKey of 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is GRGJEJFCHBGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-11-2-3-14-5-10(11)12-6-15-8-17(12)7-9-1-4-16-18-9/h1-6,8H,7H2,(H2,13,14).
What are the key properties of 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 241.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 106422521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).