N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C15H15N3O4S — CID 99807009

IUPACN-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O4S/c1-10(2)14-13(17-9-22-14)15(19)18-23(20,21)8-12-5-3-11(7-16)4-6-12/h3-6,9-10H,8H2,1-2H3,(H,18,19)
InChIKeyFQIBEUFSOCNEJS-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.93
Rot. Bonds5

About N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 99807009) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID99807009
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O4S/c1-10(2)14-13(17-9-22-14)15(19)18-23(20,21)8-12-5-3-11(7-16)4-6-12/h3-6,9-10H,8H2,1-2H3,(H,18,19)
InChIKeyFQIBEUFSOCNEJS-UHFFFAOYSA-N
XLogP1.93
TPSA113.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 99807009) is N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is FQIBEUFSOCNEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-10(2)14-13(17-9-22-14)15(19)18-23(20,21)8-12-5-3-11(7-16)4-6-12/h3-6,9-10H,8H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methylsulfonyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99807009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).