1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C17H14N6O2 — CID 150842946

IUPAC1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(NCc1cnco1)Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C17H14N6O2/c24-17(19-9-14-8-18-11-25-14)20-13-6-7-15-21-16(22-23(15)10-13)12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H2,19,20,24)
InChIKeyKOJSEEQACFUHKS-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.71
Rot. Bonds4

About 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 150842946) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID150842946
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(NCc1cnco1)Nc1ccc2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C17H14N6O2/c24-17(19-9-14-8-18-11-25-14)20-13-6-7-15-21-16(22-23(15)10-13)12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H2,19,20,24)
InChIKeyKOJSEEQACFUHKS-UHFFFAOYSA-N
XLogP2.71
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 150842946) is 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is O=C(NCc1cnco1)Nc1ccc2nc(-c3ccccc3)nn2c1.
What is the InChIKey of 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is KOJSEEQACFUHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c24-17(19-9-14-8-18-11-25-14)20-13-6-7-15-21-16(22-23(15)10-13)12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H2,19,20,24).
What are the key properties of 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 334.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 150842946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).