N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

C18H11F2N3O2S — CID 97385263

IUPACN-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)Nc4ccc(F)cc4F)cc23)cs1
InChIInChI=1S/C18H11F2N3O2S/c1-9-21-15(8-26-9)17-12-6-10(2-5-16(12)25-23-17)18(24)22-14-4-3-11(19)7-13(14)20/h2-8H,1H3,(H,22,24)
InChIKeyKBWDVTXGMQADNG-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.79
Rot. Bonds3

About N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97385263) has the molecular formula C18H11F2N3O2S and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97385263
Molecular FormulaC18H11F2N3O2S
Molecular Weight371.37 g/mol
Exact Mass371.05
IUPAC NameN-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)Nc4ccc(F)cc4F)cc23)cs1
InChIInChI=1S/C18H11F2N3O2S/c1-9-21-15(8-26-9)17-12-6-10(2-5-16(12)25-23-17)18(24)22-14-4-3-11(19)7-13(14)20/h2-8H,1H3,(H,22,24)
InChIKeyKBWDVTXGMQADNG-UHFFFAOYSA-N
XLogP4.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97385263) is N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is Cc1nc(-c2noc3ccc(C(=O)Nc4ccc(F)cc4F)cc23)cs1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is KBWDVTXGMQADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O2S/c1-9-21-15(8-26-9)17-12-6-10(2-5-16(12)25-23-17)18(24)22-14-4-3-11(19)7-13(14)20/h2-8H,1H3,(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97385263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).