tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

C19H23N3O3 — CID 139330971

IUPACtert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cc(-c3nc(C4CC4)no3)ccc21
InChIInChI=1S/C19H23N3O3/c1-19(2,3)24-18(23)20-15-9-7-12-10-13(6-8-14(12)15)17-21-16(22-25-17)11-4-5-11/h6,8,10-11,15H,4-5,7,9H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyJQPURCSAUGZSKV-OAHLLOKOSA-N
MW341.41 g/mol
LogP4.13
Rot. Bonds3

About tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 139330971) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID139330971
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cc(-c3nc(C4CC4)no3)ccc21
InChIInChI=1S/C19H23N3O3/c1-19(2,3)24-18(23)20-15-9-7-12-10-13(6-8-14(12)15)17-21-16(22-25-17)11-4-5-11/h6,8,10-11,15H,4-5,7,9H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyJQPURCSAUGZSKV-OAHLLOKOSA-N
XLogP4.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 139330971) is tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCc2cc(-c3nc(C4CC4)no3)ccc21.
What is the InChIKey of tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is JQPURCSAUGZSKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)24-18(23)20-15-9-7-12-10-13(6-8-14(12)15)17-21-16(22-25-17)11-4-5-11/h6,8,10-11,15H,4-5,7,9H2,1-3H3,(H,20,23)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 139330971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).