N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

C15H12N4O3S — CID 52907968

IUPACN-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1coc(NC(=O)c2cccs2)n1
InChIInChI=1S/C15H12N4O3S/c20-13(17-8-10-3-1-5-16-7-10)11-9-22-15(18-11)19-14(21)12-4-2-6-23-12/h1-7,9H,8H2,(H,17,20)(H,18,19,21)
InChIKeyRESNTTAFHPYMTB-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.31
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 52907968) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID52907968
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC NameN-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1coc(NC(=O)c2cccs2)n1
InChIInChI=1S/C15H12N4O3S/c20-13(17-8-10-3-1-5-16-7-10)11-9-22-15(18-11)19-14(21)12-4-2-6-23-12/h1-7,9H,8H2,(H,17,20)(H,18,19,21)
InChIKeyRESNTTAFHPYMTB-UHFFFAOYSA-N
XLogP2.31
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26591240
2-(thiophene-2-carbonylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 52907988
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515476
N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42516268
N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515407
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 44995257
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515471

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 52907968) is N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(NCc1cccnc1)c1coc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is RESNTTAFHPYMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c20-13(17-8-10-3-1-5-16-7-10)11-9-22-15(18-11)19-14(21)12-4-2-6-23-12/h1-7,9H,8H2,(H,17,20)(H,18,19,21).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52907968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).