2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

C17H21N3O3 — CID 139424967

IUPAC2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)OCC(C)C)no1
InChIInChI=1S/C17H21N3O3/c1-10(2)9-22-17(21)19-15-7-5-12-8-13(4-6-14(12)15)16-18-11(3)23-20-16/h4,6,8,10,15H,5,7,9H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyUDYFLEIQJSLBFK-OAHLLOKOSA-N
MW315.37 g/mol
LogP3.41
Rot. Bonds4

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

2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 139424967) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID139424967
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)OCC(C)C)no1
InChIInChI=1S/C17H21N3O3/c1-10(2)9-22-17(21)19-15-7-5-12-8-13(4-6-14(12)15)16-18-11(3)23-20-16/h4,6,8,10,15H,5,7,9H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyUDYFLEIQJSLBFK-OAHLLOKOSA-N
XLogP3.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
3-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 139412365
methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-pyrimidin-2-ylurea
CID 139412282
2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
CID 139412361
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
2,2-difluoro-N-[(1R)-5-[5-(trideuteriomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412601
5-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139412194
N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 139412646
2,2-dimethyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3H-pyridine-4-carboxamide
CID 155277877
phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 177230123
(R)-2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfinamide
CID 170957742

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 139424967) is 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is Cc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)OCC(C)C)no1.
What is the InChIKey of 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is UDYFLEIQJSLBFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10(2)9-22-17(21)19-15-7-5-12-8-13(4-6-14(12)15)16-18-11(3)23-20-16/h4,6,8,10,15H,5,7,9H2,1-3H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 315.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 139424967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).