N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide

C19H16N2O3 — CID 110903496

IUPACN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H16N2O3/c22-16-10-13-8-4-5-9-14(13)18(16)20-19(23)17-11-15(21-24-17)12-6-2-1-3-7-12/h1-9,11,16,18,22H,10H2,(H,20,23)
InChIKeyBDXWTDIMSPGKGJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.73
Rot. Bonds3

About N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 110903496) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID110903496
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(NC1c2ccccc2CC1O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H16N2O3/c22-16-10-13-8-4-5-9-14(13)18(16)20-19(23)17-11-15(21-24-17)12-6-2-1-3-7-12/h1-9,11,16,18,22H,10H2,(H,20,23)
InChIKeyBDXWTDIMSPGKGJ-UHFFFAOYSA-N
XLogP2.73
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 110903496) is N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide is O=C(NC1c2ccccc2CC1O)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is BDXWTDIMSPGKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-16-10-13-8-4-5-9-14(13)18(16)20-19(23)17-11-15(21-24-17)12-6-2-1-3-7-12/h1-9,11,16,18,22H,10H2,(H,20,23).
What are the key properties of N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110903496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).