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

C19H25N3O3 — CID 139331126

IUPACtert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C19H25N3O3/c1-11(2)17-21-16(22-25-17)13-6-8-14-12(10-13)7-9-15(14)20-18(23)24-19(3,4)5/h6,8,10-11,15H,7,9H2,1-5H3,(H,20,23)/t15-/m1/s1
InChIKeyPUCHFWMFZDKGAS-OAHLLOKOSA-N
MW343.43 g/mol
LogP4.37
Rot. Bonds3

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

tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 139331126) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID139331126
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C19H25N3O3/c1-11(2)17-21-16(22-25-17)13-6-8-14-12(10-13)7-9-15(14)20-18(23)24-19(3,4)5/h6,8,10-11,15H,7,9H2,1-5H3,(H,20,23)/t15-/m1/s1
InChIKeyPUCHFWMFZDKGAS-OAHLLOKOSA-N
XLogP4.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.37
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-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 139331126) is tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)c1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is PUCHFWMFZDKGAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11(2)17-21-16(22-25-17)13-6-8-14-12(10-13)7-9-15(14)20-18(23)24-19(3,4)5/h6,8,10-11,15H,7,9H2,1-5H3,(H,20,23)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 4.37, 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-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 139331126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).