N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C19H22N4O2S — CID 86266309

IUPACN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1
InChIInChI=1S/C19H22N4O2S/c1-12-16(13(2)25-22-12)9-19(24)20-6-7-23-18(14-3-4-14)10-17(21-23)15-5-8-26-11-15/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3,(H,20,24)
InChIKeyDUKDSFIVWRKDBN-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 86266309) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID86266309
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1
InChIInChI=1S/C19H22N4O2S/c1-12-16(13(2)25-22-12)9-19(24)20-6-7-23-18(14-3-4-14)10-17(21-23)15-5-8-26-11-15/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3,(H,20,24)
InChIKeyDUKDSFIVWRKDBN-UHFFFAOYSA-N
XLogP3.45
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 86266309) is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is DUKDSFIVWRKDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12-16(13(2)25-22-12)9-19(24)20-6-7-23-18(14-3-4-14)10-17(21-23)15-5-8-26-11-15/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 86266309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).