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

C18H20N4O2S — CID 71797443

IUPACN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)no1
InChIInChI=1S/C18H20N4O2S/c1-12-9-15(21-24-12)18(23)19-11-13-10-16(17-7-4-8-25-17)22(20-13)14-5-2-3-6-14/h4,7-10,14H,2-3,5-6,11H2,1H3,(H,19,23)
InChIKeyAGNRLTCSMFUPRL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.95
Rot. Bonds5

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

N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71797443) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71797443
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)no1
InChIInChI=1S/C18H20N4O2S/c1-12-9-15(21-24-12)18(23)19-11-13-10-16(17-7-4-8-25-17)22(20-13)14-5-2-3-6-14/h4,7-10,14H,2-3,5-6,11H2,1H3,(H,19,23)
InChIKeyAGNRLTCSMFUPRL-UHFFFAOYSA-N
XLogP3.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71797443) is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)no1.
What is the InChIKey of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is AGNRLTCSMFUPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-9-15(21-24-12)18(23)19-11-13-10-16(17-7-4-8-25-17)22(20-13)14-5-2-3-6-14/h4,7-10,14H,2-3,5-6,11H2,1H3,(H,19,23).
What are the key properties of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).