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

C19H10ClF2N3O2S — CID 58703394

IUPACN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)s1)c1c(F)cncc1F
InChIInChI=1S/C19H10ClF2N3O2S/c20-12-2-1-10(19-24-5-6-27-19)7-11(12)15-3-4-16(28-15)25-18(26)17-13(21)8-23-9-14(17)22/h1-9H,(H,25,26)
InChIKeyMQXJKPNEOSDNNJ-UHFFFAOYSA-N
MW417.82 g/mol
LogP5.65
Rot. Bonds4

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

N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 58703394) 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-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID58703394
Molecular FormulaC19H10ClF2N3O2S
Molecular Weight417.82 g/mol
Exact Mass417.02
IUPAC NameN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)s1)c1c(F)cncc1F
InChIInChI=1S/C19H10ClF2N3O2S/c20-12-2-1-10(19-24-5-6-27-19)7-11(12)15-3-4-16(28-15)25-18(26)17-13(21)8-23-9-14(17)22/h1-9H,(H,25,26)
InChIKeyMQXJKPNEOSDNNJ-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-(2-methyl-5-oxazol-2-yl-phenyl)-thiophen-2-yl]-benzamide
CID 11639836
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-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide
CID 11582319
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
N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 11697388
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide
CID 24831102
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875603
2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875776
2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]benzamide
CID 24875779
2,6-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide
CID 24875972

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 58703394) is N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)s1)c1c(F)cncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is MQXJKPNEOSDNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N3O2S/c20-12-2-1-10(19-24-5-6-27-19)7-11(12)15-3-4-16(28-15)25-18(26)17-13(21)8-23-9-14(17)22/h1-9H,(H,25,26).
What are the key properties of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3-oxazol-2-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-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 58703394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).