N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide

C22H23N5O3 — CID 163309179

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C22H23N5O3/c28-18-13-16-3-1-2-4-17(16)19(18)23-21(29)15-7-5-14(6-8-15)20-24-22(26-25-20)27-9-11-30-12-10-27/h1-8,18-19,28H,9-13H2,(H,23,29)(H,24,25,26)/t18-,19+/m0/s1
InChIKeyNVTJYNOBZNMXLQ-RBUKOAKNSA-N
MW405.46 g/mol
LogP1.70
Rot. Bonds4

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 163309179) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID163309179
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1
InChIInChI=1S/C22H23N5O3/c28-18-13-16-3-1-2-4-17(16)19(18)23-21(29)15-7-5-14(6-8-15)20-24-22(26-25-20)27-9-11-30-12-10-27/h1-8,18-19,28H,9-13H2,(H,23,29)(H,24,25,26)/t18-,19+/m0/s1
InChIKeyNVTJYNOBZNMXLQ-RBUKOAKNSA-N
XLogP1.70
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
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CID 110903518
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
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N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 136710911
N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 78048611
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164603208
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N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-(2-methylpropanoylamino)benzamide
CID 136512281
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-propan-2-ylsulfinylbenzamide
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3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
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N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide (CID 163309179) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is NVTJYNOBZNMXLQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-18-13-16-3-1-2-4-17(16)19(18)23-21(29)15-7-5-14(6-8-15)20-24-22(26-25-20)27-9-11-30-12-10-27/h1-8,18-19,28H,9-13H2,(H,23,29)(H,24,25,26)/t18-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 405.46 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 163309179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).