N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide

C16H19N3O3S — CID 91648559

IUPACN'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide
SMILESCc1noc(C2CC2)c1NC(=O)C(=O)NCC(C)c1cccs1
InChIInChI=1S/C16H19N3O3S/c1-9(12-4-3-7-23-12)8-17-15(20)16(21)18-13-10(2)19-22-14(13)11-5-6-11/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySULLUEANKKVPOF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.78
Rot. Bonds5

About N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide

N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide (PubChem CID 91648559) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide
PubChem CID91648559
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide
SMILESCc1noc(C2CC2)c1NC(=O)C(=O)NCC(C)c1cccs1
InChIInChI=1S/C16H19N3O3S/c1-9(12-4-3-7-23-12)8-17-15(20)16(21)18-13-10(2)19-22-14(13)11-5-6-11/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySULLUEANKKVPOF-UHFFFAOYSA-N
XLogP2.78
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide?
The IUPAC name of N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide (CID 91648559) is N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide.
What is the SMILES notation for N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide?
The canonical SMILES for N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide is Cc1noc(C2CC2)c1NC(=O)C(=O)NCC(C)c1cccs1.
What is the InChIKey of N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide?
The InChIKey is SULLUEANKKVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-9(12-4-3-7-23-12)8-17-15(20)16(21)18-13-10(2)19-22-14(13)11-5-6-11/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide?
N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide has a molecular weight of 333.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-N-(2-thiophen-2-ylpropyl)oxamide is sourced from PubChem (CID 91648559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).