2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide

C22H18FN3O2 — CID 24816611

IUPAC2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1ccccn1)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C22H18FN3O2/c23-18-7-2-1-5-15(18)14-21-26-19-9-8-16(13-20(19)28-21)22(27)25-12-10-17-6-3-4-11-24-17/h1-9,11,13H,10,12,14H2,(H,25,27)
InChIKeyGOAWXLFVXIOYMX-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.93
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide

2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 24816611) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID24816611
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1ccccn1)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C22H18FN3O2/c23-18-7-2-1-5-15(18)14-21-26-19-9-8-16(13-20(19)28-21)22(27)25-12-10-17-6-3-4-11-24-17/h1-9,11,13H,10,12,14H2,(H,25,27)
InChIKeyGOAWXLFVXIOYMX-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide (CID 24816611) is 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide is O=C(NCCc1ccccn1)c1ccc2nc(Cc3ccccc3F)oc2c1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is GOAWXLFVXIOYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-18-7-2-1-5-15(18)14-21-26-19-9-8-16(13-20(19)28-21)22(27)25-12-10-17-6-3-4-11-24-17/h1-9,11,13H,10,12,14H2,(H,25,27).
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24816611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).