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N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide

C14H14N4O2S — CID 121169574

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1ccno1
InChIInChI=1S/C14H14N4O2S/c1-10-9-11(13-3-2-8-21-13)17-18(10)7-6-15-14(19)12-4-5-16-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKeyHMPDCSDLOFPPIM-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide

N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 121169574) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID121169574
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1ccno1
InChIInChI=1S/C14H14N4O2S/c1-10-9-11(13-3-2-8-21-13)17-18(10)7-6-15-14(19)12-4-5-16-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKeyHMPDCSDLOFPPIM-UHFFFAOYSA-N
XLogP2.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 121169574) is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide is Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccno1.
What is the InChIKey of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is HMPDCSDLOFPPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-9-11(13-3-2-8-21-13)17-18(10)7-6-15-14(19)12-4-5-16-20-12/h2-5,8-9H,6-7H2,1H3,(H,15,19).
What are the key properties of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 121169574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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