[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid

C15H16N2O3 — CID 139413144

IUPAC[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESCCc1cc(-c2ccc3c(c2)CC[C@H]3NC(=O)O)no1
InChIInChI=1S/C15H16N2O3/c1-2-11-8-14(17-20-11)10-3-5-12-9(7-10)4-6-13(12)16-15(18)19/h3,5,7-8,13,16H,2,4,6H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyIETFEWXYLFZZKP-CYBMUJFWSA-N
MW272.30 g/mol
LogP3.16
Rot. Bonds3

About [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid

[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid (PubChem CID 139413144) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid
PubChem CID139413144
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid
SMILESCCc1cc(-c2ccc3c(c2)CC[C@H]3NC(=O)O)no1
InChIInChI=1S/C15H16N2O3/c1-2-11-8-14(17-20-11)10-3-5-12-9(7-10)4-6-13(12)16-15(18)19/h3,5,7-8,13,16H,2,4,6H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyIETFEWXYLFZZKP-CYBMUJFWSA-N
XLogP3.16
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
CID 139412818
2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 139412582
methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
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
phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 177230123
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412346
N-[6-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 139413065
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]-2-methyl-1,3-oxazole-5-carboxamide
CID 139412569
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
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

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The IUPAC name of [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid (CID 139413144) is [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid.
What is the SMILES notation for [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The canonical SMILES for [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid is CCc1cc(-c2ccc3c(c2)CC[C@H]3NC(=O)O)no1.
What is the InChIKey of [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid?
The InChIKey is IETFEWXYLFZZKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-11-8-14(17-20-11)10-3-5-12-9(7-10)4-6-13(12)16-15(18)19/h3,5,7-8,13,16H,2,4,6H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid?
[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid has a molecular weight of 272.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid is sourced from PubChem (CID 139413144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).