5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine

C11H12N2O3 — CID 171469790

IUPAC5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine
SMILESCOc1cc2onc(N)c2c2c1CCCO2
InChIInChI=1S/C11H12N2O3/c1-14-7-5-8-9(11(12)13-16-8)10-6(7)3-2-4-15-10/h5H,2-4H2,1H3,(H2,12,13)
InChIKeyVUJGTQMDHINXEF-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.74
Rot. Bonds1

About 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine

5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine (PubChem CID 171469790) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine.

Molecular Properties

Compound Name5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine
PubChem CID171469790
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine
SMILESCOc1cc2onc(N)c2c2c1CCCO2
InChIInChI=1S/C11H12N2O3/c1-14-7-5-8-9(11(12)13-16-8)10-6(7)3-2-4-15-10/h5H,2-4H2,1H3,(H2,12,13)
InChIKeyVUJGTQMDHINXEF-UHFFFAOYSA-N
XLogP1.74
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-amine
CID 168942394
5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide
CID 91142741
6,7-dihydro-5H-pyrano[2,3-d][1,2]oxazol-3-amine
CID 82418271
6-fluoro-9-methoxy-7-methyl-3,4-dihydro-2H-1,5-benzodioxepine
CID 70837654
4-methoxy-2,3-dihydro-1-benzofuran-7-amine
CID 82373059
2-methoxy-N-[5-(pyrazol-1-ylmethyl)-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl]-6-(trifluoromethoxy)benzenesulfonamide
CID 167459644
4-methoxy-6-(1,3-oxazol-2-yl)-1,2-benzoxazol-3-amine
CID 146278275
N-[[6-[[9-[(5-ethyl-2-methoxyphenyl)sulfanylamino]-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-5-yl]oxy]-3-pyridinyl]methyl]but-2-ynamide
CID 176960019
5-[[4-(aminomethyl)-1,5-dihydropyrazol-2-yl]methyl]-N-(4-ethyl-2-methoxyphenyl)sulfanyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine;ethane
CID 176960107
6-bromo-4-methyl-1,2-benzoxazol-3-amine
CID 169496974
6-methoxy-7,8-dinitro-3,4-dihydro-2H-chromene
CID 3886309
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 136963436

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine?
The IUPAC name of 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine (CID 171469790) is 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine.
What is the SMILES notation for 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine?
The canonical SMILES for 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine is COc1cc2onc(N)c2c2c1CCCO2.
What is the InChIKey of 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine?
The InChIKey is VUJGTQMDHINXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-14-7-5-8-9(11(12)13-16-8)10-6(7)3-2-4-15-10/h5H,2-4H2,1H3,(H2,12,13).
What are the key properties of 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine?
5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine has a molecular weight of 220.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-amine is sourced from PubChem (CID 171469790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).