2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide

C16H20FN3O2 — CID 71973341

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1cc(NCc2ncc(C(C)(C)C)o2)c(C(N)=O)cc1F
InChIInChI=1S/C16H20FN3O2/c1-9-5-12(10(15(18)21)6-11(9)17)19-8-14-20-7-13(22-14)16(2,3)4/h5-7,19H,8H2,1-4H3,(H2,18,21)
InChIKeyZDCQSCSIAUZXGV-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.13
Rot. Bonds4

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide

2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide (PubChem CID 71973341) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide
PubChem CID71973341
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1cc(NCc2ncc(C(C)(C)C)o2)c(C(N)=O)cc1F
InChIInChI=1S/C16H20FN3O2/c1-9-5-12(10(15(18)21)6-11(9)17)19-8-14-20-7-13(22-14)16(2,3)4/h5-7,19H,8H2,1-4H3,(H2,18,21)
InChIKeyZDCQSCSIAUZXGV-UHFFFAOYSA-N
XLogP3.13
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide (CID 71973341) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide is Cc1cc(NCc2ncc(C(C)(C)C)o2)c(C(N)=O)cc1F.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is ZDCQSCSIAUZXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-9-5-12(10(15(18)21)6-11(9)17)19-8-14-20-7-13(22-14)16(2,3)4/h5-7,19H,8H2,1-4H3,(H2,18,21).
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 305.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 71973341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).