5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C22H18N4O2 — CID 2738484

IUPAC5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(c1ncoc1-c1ccccc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C22H18N4O2/c27-22(20-21(28-16-25-20)17-8-2-1-3-9-17)26(14-18-10-4-6-12-23-18)15-19-11-5-7-13-24-19/h1-13,16H,14-15H2
InChIKeyHWKJOIKOJQLIRL-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.97
Rot. Bonds6

About 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide

5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 2738484) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID2738484
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(c1ncoc1-c1ccccc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C22H18N4O2/c27-22(20-21(28-16-25-20)17-8-2-1-3-9-17)26(14-18-10-4-6-12-23-18)15-19-11-5-7-13-24-19/h1-13,16H,14-15H2
InChIKeyHWKJOIKOJQLIRL-UHFFFAOYSA-N
XLogP3.97
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 2738484) is 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(c1ncoc1-c1ccccc1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HWKJOIKOJQLIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22(20-21(28-16-25-20)17-8-2-1-3-9-17)26(14-18-10-4-6-12-23-18)15-19-11-5-7-13-24-19/h1-13,16H,14-15H2.
What are the key properties of 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2738484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).