5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide

C17H22FN3O2 — CID 71973333

IUPAC5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NCc2ncc(C(C)(C)C)o2)ccc1F
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)14-9-20-15(23-14)10-19-11-6-7-13(18)12(8-11)16(22)21(4)5/h6-9,19H,10H2,1-5H3
InChIKeyKYDZWFWQUZKLBK-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.43
Rot. Bonds4

About 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide

5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide (PubChem CID 71973333) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide
PubChem CID71973333
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NCc2ncc(C(C)(C)C)o2)ccc1F
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)14-9-20-15(23-14)10-19-11-6-7-13(18)12(8-11)16(22)21(4)5/h6-9,19H,10H2,1-5H3
InChIKeyKYDZWFWQUZKLBK-UHFFFAOYSA-N
XLogP3.43
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide (CID 71973333) is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NCc2ncc(C(C)(C)C)o2)ccc1F.
What is the InChIKey of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide?
The InChIKey is KYDZWFWQUZKLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(2,3)14-9-20-15(23-14)10-19-11-6-7-13(18)12(8-11)16(22)21(4)5/h6-9,19H,10H2,1-5H3.
What are the key properties of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide?
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 319.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 71973333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).