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

C18H17F2N3O4 — CID 69143778

IUPACtert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cc(-c2ccc(F)c(F)c2)no1)c1ccon1
InChIInChI=1S/C18H17F2N3O4/c1-18(2,3)26-17(24)23(16-6-7-25-22-16)10-12-9-15(21-27-12)11-4-5-13(19)14(20)8-11/h4-9H,10H2,1-3H3
InChIKeyIRCBRLAOFJGYIF-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.55
Rot. Bonds4

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

tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate (PubChem CID 69143778) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate
PubChem CID69143778
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Nametert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cc(-c2ccc(F)c(F)c2)no1)c1ccon1
InChIInChI=1S/C18H17F2N3O4/c1-18(2,3)26-17(24)23(16-6-7-25-22-16)10-12-9-15(21-27-12)11-4-5-13(19)14(20)8-11/h4-9H,10H2,1-3H3
InChIKeyIRCBRLAOFJGYIF-UHFFFAOYSA-N
XLogP4.55
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)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-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate (CID 69143778) is tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate is CC(C)(C)OC(=O)N(Cc1cc(-c2ccc(F)c(F)c2)no1)c1ccon1.
What is the InChIKey of tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate?
The InChIKey is IRCBRLAOFJGYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c1-18(2,3)26-17(24)23(16-6-7-25-22-16)10-12-9-15(21-27-12)11-4-5-13(19)14(20)8-11/h4-9H,10H2,1-3H3.
What are the key properties of tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate?
tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate has a molecular weight of 377.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-N-(1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 69143778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).