N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C19H15ClN4O2S — CID 3236539

IUPACN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
InChIKeyYIDDHVXSPBHXFX-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3236539) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3236539
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
InChIKeyYIDDHVXSPBHXFX-UHFFFAOYSA-N
XLogP4.86
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3236539) is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is YIDDHVXSPBHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 398.88 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).