N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide

C18H16N2O3 — CID 139006797

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)ccc2o1
InChIInChI=1S/C18H16N2O3/c1-10-19-14-8-12(6-7-16(14)23-10)18(22)20-17-13-5-3-2-4-11(13)9-15(17)21/h2-8,15,17,21H,9H2,1H3,(H,20,22)/t15-,17+/m1/s1
InChIKeyLSTQGXZSCCDUOS-WBVHZDCISA-N
MW308.34 g/mol
LogP2.52
Rot. Bonds2

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide (PubChem CID 139006797) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide
PubChem CID139006797
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)ccc2o1
InChIInChI=1S/C18H16N2O3/c1-10-19-14-8-12(6-7-16(14)23-10)18(22)20-17-13-5-3-2-4-11(13)9-15(17)21/h2-8,15,17,21H,9H2,1H3,(H,20,22)/t15-,17+/m1/s1
InChIKeyLSTQGXZSCCDUOS-WBVHZDCISA-N
XLogP2.52
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1H-indazole-5-carboxamide
CID 110903518
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methyl-4-nitrobenzamide
CID 78893635
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 111696432
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103860602
3-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide
CID 110903576

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide (CID 139006797) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide is Cc1nc2cc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)ccc2o1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is LSTQGXZSCCDUOS-WBVHZDCISA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10-19-14-8-12(6-7-16(14)23-10)18(22)20-17-13-5-3-2-4-11(13)9-15(17)21/h2-8,15,17,21H,9H2,1H3,(H,20,22)/t15-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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-methyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 139006797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).