N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide

C22H22N6O3S — CID 174441793

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ncco1.O=C(Cc1ccsc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H13N3OS.C10H9N3O2/c16-12(5-8-3-4-17-7-8)13-11-6-10(14-15-11)9-1-2-9;14-9(13-10-12-5-6-15-10)7-8-3-1-2-4-11-8/h3-4,6-7,9H,1-2,5H2,(H2,13,14,15,16);1-6H,7H2,(H,12,13,14)
InChIKeyNUZJOJIMDOGFOO-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.78
Rot. Bonds7

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide (PubChem CID 174441793) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide
PubChem CID174441793
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ncco1.O=C(Cc1ccsc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H13N3OS.C10H9N3O2/c16-12(5-8-3-4-17-7-8)13-11-6-10(14-15-11)9-1-2-9;14-9(13-10-12-5-6-15-10)7-8-3-1-2-4-11-8/h3-4,6-7,9H,1-2,5H2,(H2,13,14,15,16);1-6H,7H2,(H,12,13,14)
InChIKeyNUZJOJIMDOGFOO-UHFFFAOYSA-N
XLogP3.78
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
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CID 47404938
N-(6-oxo-1H-pyridazin-3-yl)-2-thiophen-3-ylacetamide
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CID 174457442
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide
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2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
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2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide
CID 174451007

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide (CID 174441793) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1ncco1.O=C(Cc1ccsc1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide?
The InChIKey is NUZJOJIMDOGFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS.C10H9N3O2/c16-12(5-8-3-4-17-7-8)13-11-6-10(14-15-11)9-1-2-9;14-9(13-10-12-5-6-15-10)7-8-3-1-2-4-11-8/h3-4,6-7,9H,1-2,5H2,(H2,13,14,15,16);1-6H,7H2,(H,12,13,14).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide has a molecular weight of 450.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide;N-(1,3-oxazol-2-yl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 174441793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).