N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide

C15H13N3O2S2 — CID 49016833

IUPACN-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cc(-c2cccs2)on1)Nc1ccncc1
InChIInChI=1S/C15H13N3O2S2/c19-15(17-11-3-5-16-6-4-11)10-21-9-12-8-13(20-18-12)14-2-1-7-22-14/h1-8H,9-10H2,(H,16,17,19)
InChIKeyWUPKAOMIWJXHFH-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.67
Rot. Bonds6

About N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide

N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide (PubChem CID 49016833) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
PubChem CID49016833
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cc(-c2cccs2)on1)Nc1ccncc1
InChIInChI=1S/C15H13N3O2S2/c19-15(17-11-3-5-16-6-4-11)10-21-9-12-8-13(20-18-12)14-2-1-7-22-14/h1-8H,9-10H2,(H,16,17,19)
InChIKeyWUPKAOMIWJXHFH-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methylsulfanylethyl)phenyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
CID 86885155
2,2-dimethyl-N-[2-methyl-5-[[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetyl]amino]phenyl]propanamide
CID 86934488
2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2H-triazol-4-ylmethyl)acetamide
CID 75494573
N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
1-(2,6-dimethylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 49014043
[4-(ethylcarbamoyl)phenyl] 2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetate
CID 86960884
N-(1,2-oxazol-3-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879574
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 55405219
N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone
CID 86873492
3-(butylsulfanylmethyl)-5-thiophen-2-yl-1,2-oxazole
CID 112795792
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-pyridin-4-ylacetamide
CID 32921547

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide (CID 49016833) is N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide is O=C(CSCc1cc(-c2cccs2)on1)Nc1ccncc1.
What is the InChIKey of N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is WUPKAOMIWJXHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-15(17-11-3-5-16-6-4-11)10-21-9-12-8-13(20-18-12)14-2-1-7-22-14/h1-8H,9-10H2,(H,16,17,19).
What are the key properties of N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 49016833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).