N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide

C19H12F2N2O2S — CID 91634715

IUPACN-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc2nc(-c3cc(F)c(F)cc3NC(=O)c3cccs3)oc2c1
InChIInChI=1S/C19H12F2N2O2S/c1-10-4-5-14-16(7-10)25-19(23-14)11-8-12(20)13(21)9-15(11)22-18(24)17-3-2-6-26-17/h2-9H,1H3,(H,22,24)
InChIKeyVYDRFUOSXHIFFJ-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.40
Rot. Bonds3

About N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide

N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 91634715) has the molecular formula C19H12F2N2O2S and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID91634715
Molecular FormulaC19H12F2N2O2S
Molecular Weight370.38 g/mol
Exact Mass370.06
IUPAC NameN-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccc2nc(-c3cc(F)c(F)cc3NC(=O)c3cccs3)oc2c1
InChIInChI=1S/C19H12F2N2O2S/c1-10-4-5-14-16(7-10)25-19(23-14)11-8-12(20)13(21)9-15(11)22-18(24)17-3-2-6-26-17/h2-9H,1H3,(H,22,24)
InChIKeyVYDRFUOSXHIFFJ-UHFFFAOYSA-N
XLogP5.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (CID 91634715) is N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is Cc1ccc2nc(-c3cc(F)c(F)cc3NC(=O)c3cccs3)oc2c1.
What is the InChIKey of N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is VYDRFUOSXHIFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O2S/c1-10-4-5-14-16(7-10)25-19(23-14)11-8-12(20)13(21)9-15(11)22-18(24)17-3-2-6-26-17/h2-9H,1H3,(H,22,24).
What are the key properties of N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 91634715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).