N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

C17H16N4O3S — CID 121030403

IUPACN-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)c2cc(C)on2)CSC3)cc1
InChIInChI=1S/C17H16N4O3S/c1-10-7-14(20-24-10)17(22)18-16-13-8-25-9-15(13)19-21(16)11-3-5-12(23-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,18,22)
InChIKeyVQJSYQJECFMCPQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 121030403) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID121030403
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)c2cc(C)on2)CSC3)cc1
InChIInChI=1S/C17H16N4O3S/c1-10-7-14(20-24-10)17(22)18-16-13-8-25-9-15(13)19-21(16)11-3-5-12(23-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,18,22)
InChIKeyVQJSYQJECFMCPQ-UHFFFAOYSA-N
XLogP3.18
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 121030403) is N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(-n2nc3c(c2NC(=O)c2cc(C)on2)CSC3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VQJSYQJECFMCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-7-14(20-24-10)17(22)18-16-13-8-25-9-15(13)19-21(16)11-3-5-12(23-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121030403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).