N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide

C18H21N3O3 — CID 75510573

IUPACN'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
SMILESCCc1onc(C)c1NC(=O)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C18H21N3O3/c1-3-15-16(11(2)21-24-15)20-18(23)17(22)19-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,3-5,7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDYUQDTXOCUFDPX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.00
Rot. Bonds3

About N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide

N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide (PubChem CID 75510573) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide.

Molecular Properties

Compound NameN'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
PubChem CID75510573
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
SMILESCCc1onc(C)c1NC(=O)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C18H21N3O3/c1-3-15-16(11(2)21-24-15)20-18(23)17(22)19-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,3-5,7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyDYUQDTXOCUFDPX-UHFFFAOYSA-N
XLogP3.00
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The IUPAC name of N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide (CID 75510573) is N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide.
What is the SMILES notation for N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The canonical SMILES for N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide is CCc1onc(C)c1NC(=O)C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The InChIKey is DYUQDTXOCUFDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-15-16(11(2)21-24-15)20-18(23)17(22)19-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10H,3-5,7,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide has a molecular weight of 327.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide is sourced from PubChem (CID 75510573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).