N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide

C19H17N3O3 — CID 136710911

IUPACN-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
SMILESC[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C19H17N3O3/c1-11-10-14-4-2-3-5-15(14)16(11)20-18(23)13-8-6-12(7-9-13)17-21-19(24)25-22-17/h2-9,11,16H,10H2,1H3,(H,20,23)(H,21,22,24)/t11-,16+/m0/s1
InChIKeyHZBUQGPPFUUHEI-MEDUHNTESA-N
MW335.36 g/mol
LogP2.69
Rot. Bonds3

About N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide

N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 136710911) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID136710911
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
SMILESC[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C19H17N3O3/c1-11-10-14-4-2-3-5-15(14)16(11)20-18(23)13-8-6-12(7-9-13)17-21-19(24)25-22-17/h2-9,11,16H,10H2,1H3,(H,20,23)(H,21,22,24)/t11-,16+/m0/s1
InChIKeyHZBUQGPPFUUHEI-MEDUHNTESA-N
XLogP2.69
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of 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) is N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide is C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(-c2noc(=O)[nH]2)cc1.
What is the InChIKey of N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is HZBUQGPPFUUHEI-MEDUHNTESA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-10-14-4-2-3-5-15(14)16(11)20-18(23)13-8-6-12(7-9-13)17-21-19(24)25-22-17/h2-9,11,16H,10H2,1H3,(H,20,23)(H,21,22,24)/t11-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 136710911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).