2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide

C17H19N5O2S — CID 30377907

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H19N5O2S/c1-12-15(13(2)24-21-12)10-25-11-17(23)19-9-14-4-5-16(18-8-14)22-7-3-6-20-22/h3-8H,9-11H2,1-2H3,(H,19,23)
InChIKeyGCGOJAOBESBRSJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.42
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 30377907) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID30377907
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H19N5O2S/c1-12-15(13(2)24-21-12)10-25-11-17(23)19-9-14-4-5-16(18-8-14)22-7-3-6-20-22/h3-8H,9-11H2,1-2H3,(H,19,23)
InChIKeyGCGOJAOBESBRSJ-UHFFFAOYSA-N
XLogP2.42
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110909081
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55941346
3,5-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 86911428
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 86986255
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
N-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 51947278
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 47062005
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 5167713
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-2-phenylbutyl)acetamide
CID 86981270

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide (CID 30377907) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide is Cc1noc(C)c1CSCC(=O)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is GCGOJAOBESBRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12-15(13(2)24-21-12)10-25-11-17(23)19-9-14-4-5-16(18-8-14)22-7-3-6-20-22/h3-8H,9-11H2,1-2H3,(H,19,23).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 30377907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).