1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol

C17H16N2O2 — CID 43637082

IUPAC1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1nc2cc(NC3CCc4c(O)cccc43)ccc2o1
InChIInChI=1S/C17H16N2O2/c1-10-18-15-9-11(5-8-17(15)21-10)19-14-7-6-13-12(14)3-2-4-16(13)20/h2-5,8-9,14,19-20H,6-7H2,1H3
InChIKeyPPMKEXSXXHZJHZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.94
Rot. Bonds2

About 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol

1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 43637082) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID43637082
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1nc2cc(NC3CCc4c(O)cccc43)ccc2o1
InChIInChI=1S/C17H16N2O2/c1-10-18-15-9-11(5-8-17(15)21-10)19-14-7-6-13-12(14)3-2-4-16(13)20/h2-5,8-9,14,19-20H,6-7H2,1H3
InChIKeyPPMKEXSXXHZJHZ-UHFFFAOYSA-N
XLogP3.94
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 43637082) is 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol is Cc1nc2cc(NC3CCc4c(O)cccc43)ccc2o1.
What is the InChIKey of 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is PPMKEXSXXHZJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-18-15-9-11(5-8-17(15)21-10)19-14-7-6-13-12(14)3-2-4-16(13)20/h2-5,8-9,14,19-20H,6-7H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 280.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43637082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).