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

C16H19N3O2 — CID 74244390

IUPACN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)on1
InChIInChI=1S/C16H19N3O2/c1-9(2)12-8-14(21-19-12)16(20)18-13-7-10-5-3-4-6-11(10)15(13)17/h3-6,8-9,13,15H,7,17H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyHMAOJNKKRQGBDX-ZFWWWQNUSA-N
MW285.35 g/mol
LogP2.15
Rot. Bonds3

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

N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 74244390) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID74244390
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)on1
InChIInChI=1S/C16H19N3O2/c1-9(2)12-8-14(21-19-12)16(20)18-13-7-10-5-3-4-6-11(10)15(13)17/h3-6,8-9,13,15H,7,17H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyHMAOJNKKRQGBDX-ZFWWWQNUSA-N
XLogP2.15
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
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N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70784279
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 138027230
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CID 138011377
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N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
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(2S)-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
CID 130277842
(2S)-N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(2,4-difluorophenyl)propanamide
CID 130277360
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopentylpyrazole-3-carboxamide
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3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 74244390) is N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)on1.
What is the InChIKey of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is HMAOJNKKRQGBDX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9(2)12-8-14(21-19-12)16(20)18-13-7-10-5-3-4-6-11(10)15(13)17/h3-6,8-9,13,15H,7,17H2,1-2H3,(H,18,20)/t13-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 74244390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).