2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide

C16H14N4O2S — CID 91764642

IUPAC2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1cc(-c2ccccn2)no1
InChIInChI=1S/C16H14N4O2S/c1-23-16-12(5-4-8-18-16)15(21)19-10-11-9-14(20-22-11)13-6-2-3-7-17-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyOMIHFVAXKWEPOM-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.78
Rot. Bonds5

About 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide

2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 91764642) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID91764642
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1cc(-c2ccccn2)no1
InChIInChI=1S/C16H14N4O2S/c1-23-16-12(5-4-8-18-16)15(21)19-10-11-9-14(20-22-11)13-6-2-3-7-17-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyOMIHFVAXKWEPOM-UHFFFAOYSA-N
XLogP2.78
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70750036
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819274
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 24672801
N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165428447
2-chloro-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465131
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide (CID 91764642) is 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1cc(-c2ccccn2)no1.
What is the InChIKey of 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OMIHFVAXKWEPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-23-16-12(5-4-8-18-16)15(21)19-10-11-9-14(20-22-11)13-6-2-3-7-17-13/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91764642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).