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

C19H13N5O3S — CID 155813966

IUPAC5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1S(=O)(=O)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C19H13N5O3S/c20-12-16-19(27-18(22-16)14-9-5-2-6-10-14)28(25,26)24-17(21)11-15(23-24)13-7-3-1-4-8-13/h1-11H,21H2
InChIKeyDMGSNPGQQOISLD-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.90
Rot. Bonds4

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

5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 155813966) has the molecular formula C19H13N5O3S and a molecular weight of 391.41 g/mol. Its IUPAC name is 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID155813966
Molecular FormulaC19H13N5O3S
Molecular Weight391.41 g/mol
Exact Mass391.07
IUPAC Name5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)oc1S(=O)(=O)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C19H13N5O3S/c20-12-16-19(27-18(22-16)14-9-5-2-6-10-14)28(25,26)24-17(21)11-15(23-24)13-7-3-1-4-8-13/h1-11H,21H2
InChIKeyDMGSNPGQQOISLD-UHFFFAOYSA-N
XLogP2.90
TPSA127.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.90
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-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile (CID 155813966) is 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)n1nc(-c2ccccc2)cc1N.
What is the InChIKey of 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is DMGSNPGQQOISLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3S/c20-12-16-19(27-18(22-16)14-9-5-2-6-10-14)28(25,26)24-17(21)11-15(23-24)13-7-3-1-4-8-13/h1-11H,21H2.
What are the key properties of 5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile?
5-(5-amino-3-phenylpyrazol-1-yl)sulfonyl-2-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 391.41 g/mol, XLogP of 2.90, 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-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 155813966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).