N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H13F2N3O2S — CID 2114663

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C20H13F2N3O2S/c1-11-17(18(25-27-11)12-5-3-2-4-6-12)19(26)24-20-23-16(10-28-20)14-9-13(21)7-8-15(14)22/h2-10H,1H3,(H,23,24,26)
InChIKeyLPCIEAWTMGHHIT-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.30
Rot. Bonds4

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2114663) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2114663
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C20H13F2N3O2S/c1-11-17(18(25-27-11)12-5-3-2-4-6-12)19(26)24-20-23-16(10-28-20)14-9-13(21)7-8-15(14)22/h2-10H,1H3,(H,23,24,26)
InChIKeyLPCIEAWTMGHHIT-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2114663) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is LPCIEAWTMGHHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c1-11-17(18(25-27-11)12-5-3-2-4-6-12)19(26)24-20-23-16(10-28-20)14-9-13(21)7-8-15(14)22/h2-10H,1H3,(H,23,24,26).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2114663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).