2-(pyridin-4-ylmethyl)-1,3-oxazole

C9H8N2O — CID 57312783

IUPAC2-(pyridin-4-ylmethyl)-1,3-oxazole
SMILESc1cc(Cc2ncco2)ccn1
InChIInChI=1S/C9H8N2O/c1-3-10-4-2-8(1)7-9-11-5-6-12-9/h1-6H,7H2
InChIKeySSLABHSNNIBHBE-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.66
Rot. Bonds2

About 2-(pyridin-4-ylmethyl)-1,3-oxazole

2-(pyridin-4-ylmethyl)-1,3-oxazole (PubChem CID 57312783) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)-1,3-oxazole
PubChem CID57312783
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-(pyridin-4-ylmethyl)-1,3-oxazole
SMILESc1cc(Cc2ncco2)ccn1
InChIInChI=1S/C9H8N2O/c1-3-10-4-2-8(1)7-9-11-5-6-12-9/h1-6H,7H2
InChIKeySSLABHSNNIBHBE-UHFFFAOYSA-N
XLogP1.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(pyridin-4-ylmethyl)-1,3-oxazole (CID 57312783) is 2-(pyridin-4-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(pyridin-4-ylmethyl)-1,3-oxazole is c1cc(Cc2ncco2)ccn1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)-1,3-oxazole?
The InChIKey is SSLABHSNNIBHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-3-10-4-2-8(1)7-9-11-5-6-12-9/h1-6H,7H2.
What are the key properties of 2-(pyridin-4-ylmethyl)-1,3-oxazole?
2-(pyridin-4-ylmethyl)-1,3-oxazole has a molecular weight of 160.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 57312783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).