2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide

C17H21N3O3 — CID 37244570

IUPAC2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2)co1
InChIInChI=1S/C17H21N3O3/c1-11-19-14(10-23-11)12-5-7-13(8-6-12)20-15(21)9-18-16(22)17(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyGUIXLIVAWHBHCI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.75
Rot. Bonds4

About 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide (PubChem CID 37244570) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide
PubChem CID37244570
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2)co1
InChIInChI=1S/C17H21N3O3/c1-11-19-14(10-23-11)12-5-7-13(8-6-12)20-15(21)9-18-16(22)17(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyGUIXLIVAWHBHCI-UHFFFAOYSA-N
XLogP2.75
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide (CID 37244570) is 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide is Cc1nc(-c2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2)co1.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide?
The InChIKey is GUIXLIVAWHBHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-19-14(10-23-11)12-5-7-13(8-6-12)20-15(21)9-18-16(22)17(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,22)(H,20,21).
What are the key properties of 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-2-oxoethyl]propanamide is sourced from PubChem (CID 37244570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).