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

C18H12FN3O2S — CID 97361874

IUPACN-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)Nc4ccc(F)cc4)cc23)cs1
InChIInChI=1S/C18H12FN3O2S/c1-10-20-15(9-25-10)17-14-8-11(2-7-16(14)24-22-17)18(23)21-13-5-3-12(19)4-6-13/h2-9H,1H3,(H,21,23)
InChIKeyGNEOMNFAQNSIJB-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.65
Rot. Bonds3

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

N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97361874) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97361874
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC NameN-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCc1nc(-c2noc3ccc(C(=O)Nc4ccc(F)cc4)cc23)cs1
InChIInChI=1S/C18H12FN3O2S/c1-10-20-15(9-25-10)17-14-8-11(2-7-16(14)24-22-17)18(23)21-13-5-3-12(19)4-6-13/h2-9H,1H3,(H,21,23)
InChIKeyGNEOMNFAQNSIJB-UHFFFAOYSA-N
XLogP4.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97361874) is N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is Cc1nc(-c2noc3ccc(C(=O)Nc4ccc(F)cc4)cc23)cs1.
What is the InChIKey of N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is GNEOMNFAQNSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c1-10-20-15(9-25-10)17-14-8-11(2-7-16(14)24-22-17)18(23)21-13-5-3-12(19)4-6-13/h2-9H,1H3,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97361874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).