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

C20H19N3O3 — CID 177230123

IUPACphenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)Oc2ccccc2)no1
InChIInChI=1S/C20H19N3O3/c1-2-18-22-19(23-26-18)14-8-10-16-13(12-14)9-11-17(16)21-20(24)25-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyAQJPXNYHLVKMCX-QGZVFWFLSA-N
MW349.39 g/mol
LogP4.07
Rot. Bonds4

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

phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 177230123) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID177230123
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namephenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)Oc2ccccc2)no1
InChIInChI=1S/C20H19N3O3/c1-2-18-22-19(23-26-18)14-8-10-16-13(12-14)9-11-17(16)21-20(24)25-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyAQJPXNYHLVKMCX-QGZVFWFLSA-N
XLogP4.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412727
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139330786
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 139412569
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-1,3-oxazole-5-carboxamide
CID 139412846
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412346
(3R)-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 139412225
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 139413093
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 139412539
1-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-(6-propan-2-yl-2-pyridinyl)urea
CID 177230114
2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 139412690
N-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330986

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 177230123) is phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)Oc2ccccc2)no1.
What is the InChIKey of phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is AQJPXNYHLVKMCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-18-22-19(23-26-18)14-8-10-16-13(12-14)9-11-17(16)21-20(24)25-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 349.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 177230123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).