N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide

C22H22N2O4 — CID 73438800

IUPACN-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc2c(cc1OC)[C@](C)(c1ccccc1)C[C@@H]2NC(=O)c1ccno1
InChIInChI=1S/C22H22N2O4/c1-22(14-7-5-4-6-8-14)13-17(24-21(25)18-9-10-23-28-18)15-11-19(26-2)20(27-3)12-16(15)22/h4-12,17H,13H2,1-3H3,(H,24,25)/t17-,22-/m0/s1
InChIKeyUWNKJQINYCELNJ-JTSKRJEESA-N
MW378.43 g/mol
LogP3.87
Rot. Bonds5

About N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide

N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide (PubChem CID 73438800) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide
PubChem CID73438800
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc2c(cc1OC)[C@](C)(c1ccccc1)C[C@@H]2NC(=O)c1ccno1
InChIInChI=1S/C22H22N2O4/c1-22(14-7-5-4-6-8-14)13-17(24-21(25)18-9-10-23-28-18)15-11-19(26-2)20(27-3)12-16(15)22/h4-12,17H,13H2,1-3H3,(H,24,25)/t17-,22-/m0/s1
InChIKeyUWNKJQINYCELNJ-JTSKRJEESA-N
XLogP3.87
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide (CID 73438800) is N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide is COc1cc2c(cc1OC)[C@](C)(c1ccccc1)C[C@@H]2NC(=O)c1ccno1.
What is the InChIKey of N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is UWNKJQINYCELNJ-JTSKRJEESA-N. The full InChI is InChI=1S/C22H22N2O4/c1-22(14-7-5-4-6-8-14)13-17(24-21(25)18-9-10-23-28-18)15-11-19(26-2)20(27-3)12-16(15)22/h4-12,17H,13H2,1-3H3,(H,24,25)/t17-,22-/m0/s1.
What are the key properties of N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide?
N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 73438800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).