N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide

C15H17N3O3 — CID 22558406

IUPACN'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H17N3O3/c1-15(2,3)18-14(20)13(19)17-11-6-4-10(5-7-11)12-8-16-9-21-12/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKeyLXIDURNEXJAOGP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.19
Rot. Bonds2

About N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide

N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide (PubChem CID 22558406) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide
PubChem CID22558406
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C15H17N3O3/c1-15(2,3)18-14(20)13(19)17-11-6-4-10(5-7-11)12-8-16-9-21-12/h4-9H,1-3H3,(H,17,19)(H,18,20)
InChIKeyLXIDURNEXJAOGP-UHFFFAOYSA-N
XLogP2.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.19
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'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide (CID 22558406) is N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide is CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide?
The InChIKey is LXIDURNEXJAOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2,3)18-14(20)13(19)17-11-6-4-10(5-7-11)12-8-16-9-21-12/h4-9H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide?
N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide has a molecular weight of 287.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[4-(1,3-oxazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 22558406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).