N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide

C13H13N3O2 — CID 79741645

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccon1
InChIInChI=1S/C13H13N3O2/c14-9-2-3-10-8(7-9)1-4-11(10)15-13(17)12-5-6-18-16-12/h2-3,5-7,11H,1,4,14H2,(H,15,17)
InChIKeyJFXHQTQRYZEING-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.67
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide (PubChem CID 79741645) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
PubChem CID79741645
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1ccon1
InChIInChI=1S/C13H13N3O2/c14-9-2-3-10-8(7-9)1-4-11(10)15-13(17)12-5-6-18-16-12/h2-3,5-7,11H,1,4,14H2,(H,15,17)
InChIKeyJFXHQTQRYZEING-UHFFFAOYSA-N
XLogP1.67
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79741279
N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 79741093
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide
CID 106688572
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79740729
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide (CID 79741645) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide is Nc1ccc2c(c1)CCC2NC(=O)c1ccon1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is JFXHQTQRYZEING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-9-2-3-10-8(7-9)1-4-11(10)15-13(17)12-5-6-18-16-12/h2-3,5-7,11H,1,4,14H2,(H,15,17).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79741645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).