1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol

C13H10N2O3 — CID 136952337

IUPAC1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol
SMILESNc1cc(-c2c(O)ccc3ccc(O)cc23)on1
InChIInChI=1S/C13H10N2O3/c14-12-6-11(18-15-12)13-9-5-8(16)3-1-7(9)2-4-10(13)17/h1-6,16-17H,(H2,14,15)
InChIKeyGIPBZVXZZDOWIE-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.49
Rot. Bonds1

About 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol

1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol (PubChem CID 136952337) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol.

Molecular Properties

Compound Name1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol
PubChem CID136952337
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol
SMILESNc1cc(-c2c(O)ccc3ccc(O)cc23)on1
InChIInChI=1S/C13H10N2O3/c14-12-6-11(18-15-12)13-9-5-8(16)3-1-7(9)2-4-10(13)17/h1-6,16-17H,(H2,14,15)
InChIKeyGIPBZVXZZDOWIE-UHFFFAOYSA-N
XLogP2.49
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol
CID 136928596
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435
1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
CID 121311364
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
1-phenylnaphthalene-2,7-diol
CID 118054370
4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol
CID 136968513
4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
CID 137013055
5-(3-amino-1,2-oxazol-5-yl)quinolin-8-ol
CID 136968536
1-(2-aminopropan-2-yl)naphthalene-2,7-diol
CID 117309315
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol?
The IUPAC name of 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol (CID 136952337) is 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol.
What is the SMILES notation for 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol?
The canonical SMILES for 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol is Nc1cc(-c2c(O)ccc3ccc(O)cc23)on1.
What is the InChIKey of 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol?
The InChIKey is GIPBZVXZZDOWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c14-12-6-11(18-15-12)13-9-5-8(16)3-1-7(9)2-4-10(13)17/h1-6,16-17H,(H2,14,15).
What are the key properties of 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol?
1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol has a molecular weight of 242.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol is sourced from PubChem (CID 136952337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).