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

C20H24N2O3 — CID 175985542

IUPACtert-butyl N-(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(cc3c1CCC3)CCC2
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22(18-21-10-11-24-18)17-15-8-4-6-13(15)12-14-7-5-9-16(14)17/h10-12H,4-9H2,1-3H3
InChIKeyPFMBEBYXKHOXGD-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.73
Rot. Bonds2

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

tert-butyl N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate (PubChem CID 175985542) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate
PubChem CID175985542
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametert-butyl N-(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(cc3c1CCC3)CCC2
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22(18-21-10-11-24-18)17-15-8-4-6-13(15)12-14-7-5-9-16(14)17/h10-12H,4-9H2,1-3H3
InChIKeyPFMBEBYXKHOXGD-UHFFFAOYSA-N
XLogP4.73
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate (CID 175985542) is tert-butyl N-(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-(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-(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(cc3c1CCC3)CCC2.
What is the InChIKey of tert-butyl N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate?
The InChIKey is PFMBEBYXKHOXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22(18-21-10-11-24-18)17-15-8-4-6-13(15)12-14-7-5-9-16(14)17/h10-12H,4-9H2,1-3H3.
What are the key properties of tert-butyl N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate?
tert-butyl N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate has a molecular weight of 340.42 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(1,3-oxazol-2-yl)carbamate is sourced from PubChem (CID 175985542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).