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

C16H19N3O4S — CID 75463231

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H19N3O4S/c1-10(2)15-14(17-9-23-15)16(20)18-12-4-3-5-13(8-12)24(21,22)19-11-6-7-11/h3-5,8-11,19H,6-7H2,1-2H3,(H,18,20)
InChIKeyRNCVCLVALDDFMD-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.49
Rot. Bonds6

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

N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 75463231) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID75463231
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C16H19N3O4S/c1-10(2)15-14(17-9-23-15)16(20)18-12-4-3-5-13(8-12)24(21,22)19-11-6-7-11/h3-5,8-11,19H,6-7H2,1-2H3,(H,18,20)
InChIKeyRNCVCLVALDDFMD-UHFFFAOYSA-N
XLogP2.49
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 75463231) is N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is RNCVCLVALDDFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10(2)15-14(17-9-23-15)16(20)18-12-4-3-5-13(8-12)24(21,22)19-11-6-7-11/h3-5,8-11,19H,6-7H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75463231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).