2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide

C20H16FN3O2S — CID 24790230

IUPAC2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C20H16FN3O2S/c1-24(12-19-22-8-9-27-19)20(25)14-6-7-16-17(10-14)26-18(23-16)11-13-4-2-3-5-15(13)21/h2-10H,11-12H2,1H3
InChIKeyQVASRMBYZRYDBG-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.29
Rot. Bonds5

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

2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 24790230) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID24790230
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESCN(Cc1nccs1)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C20H16FN3O2S/c1-24(12-19-22-8-9-27-19)20(25)14-6-7-16-17(10-14)26-18(23-16)11-13-4-2-3-5-15(13)21/h2-10H,11-12H2,1H3
InChIKeyQVASRMBYZRYDBG-UHFFFAOYSA-N
XLogP4.29
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide (CID 24790230) is 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide is CN(Cc1nccs1)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is QVASRMBYZRYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-24(12-19-22-8-9-27-19)20(25)14-6-7-16-17(10-14)26-18(23-16)11-13-4-2-3-5-15(13)21/h2-10H,11-12H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide?
2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24790230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).