5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile

C20H15N5O3S — CID 73254067

IUPAC5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(S(=O)(=O)n3nc(-c4ccccc4)cc3N)o2)cc1
InChIInChI=1S/C20H15N5O3S/c1-13-7-9-15(10-8-13)19-23-17(12-21)20(28-19)29(26,27)25-18(22)11-16(24-25)14-5-3-2-4-6-14/h2-11H,22H2,1H3
InChIKeyDZOWPGWTSURARX-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.20
Rot. Bonds4

About 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile

5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 73254067) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID73254067
Molecular FormulaC20H15N5O3S
Molecular Weight405.44 g/mol
Exact Mass405.09
IUPAC Name5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(S(=O)(=O)n3nc(-c4ccccc4)cc3N)o2)cc1
InChIInChI=1S/C20H15N5O3S/c1-13-7-9-15(10-8-13)19-23-17(12-21)20(28-19)29(26,27)25-18(22)11-16(24-25)14-5-3-2-4-6-14/h2-11H,22H2,1H3
InChIKeyDZOWPGWTSURARX-UHFFFAOYSA-N
XLogP3.20
TPSA127.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile (CID 73254067) is 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is Cc1ccc(-c2nc(C#N)c(S(=O)(=O)n3nc(-c4ccccc4)cc3N)o2)cc1.
What is the InChIKey of 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is DZOWPGWTSURARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c1-13-7-9-15(10-8-13)19-23-17(12-21)20(28-19)29(26,27)25-18(22)11-16(24-25)14-5-3-2-4-6-14/h2-11H,22H2,1H3.
What are the key properties of 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile?
5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 405.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 73254067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).