tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate

C17H21FN2O3 — CID 177338126

IUPACtert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate
SMILESCc1cc(CCc2cc(NC(=O)OC(C)(C)C)ccc2F)no1
InChIInChI=1S/C17H21FN2O3/c1-11-9-14(20-23-11)6-5-12-10-13(7-8-15(12)18)19-16(21)22-17(2,3)4/h7-10H,5-6H2,1-4H3,(H,19,21)
InChIKeyKIPJAECCHLBOMZ-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.25
Rot. Bonds4

About tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate

tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate (PubChem CID 177338126) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate
PubChem CID177338126
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Nametert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate
SMILESCc1cc(CCc2cc(NC(=O)OC(C)(C)C)ccc2F)no1
InChIInChI=1S/C17H21FN2O3/c1-11-9-14(20-23-11)6-5-12-10-13(7-8-15(12)18)19-16(21)22-17(2,3)4/h7-10H,5-6H2,1-4H3,(H,19,21)
InChIKeyKIPJAECCHLBOMZ-UHFFFAOYSA-N
XLogP4.25
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate (CID 177338126) is tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate is Cc1cc(CCc2cc(NC(=O)OC(C)(C)C)ccc2F)no1.
What is the InChIKey of tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate?
The InChIKey is KIPJAECCHLBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11-9-14(20-23-11)6-5-12-10-13(7-8-15(12)18)19-16(21)22-17(2,3)4/h7-10H,5-6H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate?
tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate has a molecular weight of 320.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-3-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]phenyl]carbamate is sourced from PubChem (CID 177338126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).