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

C14H15N3O2 — CID 79741279

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCc3cc(N)ccc32)no1
InChIInChI=1S/C14H15N3O2/c1-8-6-13(17-19-8)14(18)16-12-5-2-9-7-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H,16,18)
InChIKeyQWTOICIHQACHQU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.98
Rot. Bonds2

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

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 79741279) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID79741279
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCc3cc(N)ccc32)no1
InChIInChI=1S/C14H15N3O2/c1-8-6-13(17-19-8)14(18)16-12-5-2-9-7-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H,16,18)
InChIKeyQWTOICIHQACHQU-UHFFFAOYSA-N
XLogP1.98
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.98
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-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 47387060
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 79741645
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)-4-methyl-1,3-thiazole-5-carboxamide
CID 79740729
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)-3-bromo-2-methylbenzamide
CID 79722653
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)-2-hydroxy-4-methylbenzamide
CID 79723797
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)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 79723355
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 79741279) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCc3cc(N)ccc32)no1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QWTOICIHQACHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-6-13(17-19-8)14(18)16-12-5-2-9-7-10(15)3-4-11(9)12/h3-4,6-7,12H,2,5,15H2,1H3,(H,16,18).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.98, 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)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79741279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).