N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide

C19H10ClF2N3O2S — CID 11697388

IUPACN-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cnco3)ccc2Cl)s1)c1c(F)cncc1F
InChIInChI=1S/C19H10ClF2N3O2S/c20-12-2-1-10(15-8-24-9-27-15)5-11(12)16-3-4-17(28-16)25-19(26)18-13(21)6-23-7-14(18)22/h1-9H,(H,25,26)
InChIKeyZZNRHWBSDFCGEA-UHFFFAOYSA-N
MW417.82 g/mol
LogP5.65
Rot. Bonds4

About N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide

N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 11697388) has the molecular formula C19H10ClF2N3O2S and a molecular weight of 417.82 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID11697388
Molecular FormulaC19H10ClF2N3O2S
Molecular Weight417.82 g/mol
Exact Mass417.02
IUPAC NameN-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3cnco3)ccc2Cl)s1)c1c(F)cncc1F
InChIInChI=1S/C19H10ClF2N3O2S/c20-12-2-1-10(15-8-24-9-27-15)5-11(12)16-3-4-17(28-16)25-19(26)18-13(21)6-23-7-14(18)22/h1-9H,(H,25,26)
InChIKeyZZNRHWBSDFCGEA-UHFFFAOYSA-N
XLogP5.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.82
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Difluoro-N-[5-(3-oxazol-5-yl-phenyl)-thiophen-2-yl]-benzamide
CID 58703376
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 11494628
N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
CID 11603702
N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
CID 11618239
2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
CID 24875412
N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide
CID 24876320
N-[(3-fluoro-4-pyridinyl)methyl]-4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]aniline
CID 24876634
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703373
N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 58703379
3,5-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703382
N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
CID 58703391
N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 58703394

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 11697388) is N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2cc(-c3cnco3)ccc2Cl)s1)c1c(F)cncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is ZZNRHWBSDFCGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N3O2S/c20-12-2-1-10(15-8-24-9-27-15)5-11(12)16-3-4-17(28-16)25-19(26)18-13(21)6-23-7-14(18)22/h1-9H,(H,25,26).
What are the key properties of N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 417.82 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 11697388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).