3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole

C15H11N7O — CID 72866664

IUPAC3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(Cn3cc(-c4cncnc4)nn3)on2)nc1
InChIInChI=1S/C15H11N7O/c1-2-4-18-13(3-1)14-5-12(23-20-14)8-22-9-15(19-21-22)11-6-16-10-17-7-11/h1-7,9-10H,8H2
InChIKeySGQYHLBBVLVUFJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.83
Rot. Bonds4

About 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole

3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole (PubChem CID 72866664) has the molecular formula C15H11N7O and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
PubChem CID72866664
Molecular FormulaC15H11N7O
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
SMILESc1ccc(-c2cc(Cn3cc(-c4cncnc4)nn3)on2)nc1
InChIInChI=1S/C15H11N7O/c1-2-4-18-13(3-1)14-5-12(23-20-14)8-22-9-15(19-21-22)11-6-16-10-17-7-11/h1-7,9-10H,8H2
InChIKeySGQYHLBBVLVUFJ-UHFFFAOYSA-N
XLogP1.83
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole (CID 72866664) is 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole is c1ccc(-c2cc(Cn3cc(-c4cncnc4)nn3)on2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is SGQYHLBBVLVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O/c1-2-4-18-13(3-1)14-5-12(23-20-14)8-22-9-15(19-21-22)11-6-16-10-17-7-11/h1-7,9-10H,8H2.
What are the key properties of 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 305.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 72866664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).