tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate

C20H23FN2O3 — CID 156540588

IUPACtert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ncco1)c1c2c(c(F)c3c1CCC3)CCC2
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)26-19(24)23(18-22-10-11-25-18)17-14-8-4-6-12(14)16(21)13-7-5-9-15(13)17/h10-11H,4-9H2,1-3H3
InChIKeyFAUFZKGRWKQQHI-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.86
Rot. Bonds2

About tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate

tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate (PubChem CID 156540588) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate
PubChem CID156540588
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nametert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ncco1)c1c2c(c(F)c3c1CCC3)CCC2
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)26-19(24)23(18-22-10-11-25-18)17-14-8-4-6-12(14)16(21)13-7-5-9-15(13)17/h10-11H,4-9H2,1-3H3
InChIKeyFAUFZKGRWKQQHI-UHFFFAOYSA-N
XLogP4.86
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate (CID 156540588) is tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate is CC(C)(C)OC(=O)N(c1ncco1)c1c2c(c(F)c3c1CCC3)CCC2.
What is the InChIKey of tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate?
The InChIKey is FAUFZKGRWKQQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-20(2,3)26-19(24)23(18-22-10-11-25-18)17-14-8-4-6-12(14)16(21)13-7-5-9-15(13)17/h10-11H,4-9H2,1-3H3.
What are the key properties of tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate?
tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate has a molecular weight of 358.41 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate is sourced from PubChem (CID 156540588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).