2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide

C13H13N3O3 — CID 156595794

IUPAC2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)co1
InChIInChI=1S/C13H13N3O3/c14-13-15-9(6-19-13)12(18)16-11-8-4-2-1-3-7(8)5-10(11)17/h1-4,6,10-11,17H,5H2,(H2,14,15)(H,16,18)/t10-,11+/m0/s1
InChIKeyKBNNPBOURXVXDK-WDEREUQCSA-N
MW259.26 g/mol
LogP0.64
Rot. Bonds2

About 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide

2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide (PubChem CID 156595794) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide
PubChem CID156595794
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)co1
InChIInChI=1S/C13H13N3O3/c14-13-15-9(6-19-13)12(18)16-11-8-4-2-1-3-7(8)5-10(11)17/h1-4,6,10-11,17H,5H2,(H2,14,15)(H,16,18)/t10-,11+/m0/s1
InChIKeyKBNNPBOURXVXDK-WDEREUQCSA-N
XLogP0.64
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide (CID 156595794) is 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)co1.
What is the InChIKey of 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is KBNNPBOURXVXDK-WDEREUQCSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-13-15-9(6-19-13)12(18)16-11-8-4-2-1-3-7(8)5-10(11)17/h1-4,6,10-11,17H,5H2,(H2,14,15)(H,16,18)/t10-,11+/m0/s1.
What are the key properties of 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide?
2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156595794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).