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

C19H17N3O3 — CID 97249203

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccccc2C(=O)N[C@H]2c3ccccc3C[C@H]2O)o1
InChIInChI=1S/C19H17N3O3/c1-11-21-22-19(25-11)15-9-5-4-8-14(15)18(24)20-17-13-7-3-2-6-12(13)10-16(17)23/h2-9,16-17,23H,10H2,1H3,(H,20,24)/t16-,17+/m1/s1
InChIKeyCJMNNZQHKQFZNW-SJORKVTESA-N
MW335.36 g/mol
LogP2.43
Rot. Bonds3

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 97249203) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID97249203
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccccc2C(=O)N[C@H]2c3ccccc3C[C@H]2O)o1
InChIInChI=1S/C19H17N3O3/c1-11-21-22-19(25-11)15-9-5-4-8-14(15)18(24)20-17-13-7-3-2-6-12(13)10-16(17)23/h2-9,16-17,23H,10H2,1H3,(H,20,24)/t16-,17+/m1/s1
InChIKeyCJMNNZQHKQFZNW-SJORKVTESA-N
XLogP2.43
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 97249203) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2ccccc2C(=O)N[C@H]2c3ccccc3C[C@H]2O)o1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is CJMNNZQHKQFZNW-SJORKVTESA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-21-22-19(25-11)15-9-5-4-8-14(15)18(24)20-17-13-7-3-2-6-12(13)10-16(17)23/h2-9,16-17,23H,10H2,1H3,(H,20,24)/t16-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 97249203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).