1,3-benzoxazole;1,2-dimethoxybenzene

C15H15NO3 — CID 142933115

IUPAC1,3-benzoxazole;1,2-dimethoxybenzene
SMILESCOc1ccccc1OC.c1ccc2ocnc2c1
InChIInChI=1S/C8H10O2.C7H5NO/c1-9-7-5-3-4-6-8(7)10-2;1-2-4-7-6(3-1)8-5-9-7/h3-6H,1-2H3;1-5H
InChIKeyIIGKDBQFMMNQDS-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.53
Rot. Bonds2

About 1,3-benzoxazole;1,2-dimethoxybenzene

1,3-benzoxazole;1,2-dimethoxybenzene (PubChem CID 142933115) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1,3-benzoxazole;1,2-dimethoxybenzene.

Molecular Properties

Compound Name1,3-benzoxazole;1,2-dimethoxybenzene
PubChem CID142933115
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1,3-benzoxazole;1,2-dimethoxybenzene
SMILESCOc1ccccc1OC.c1ccc2ocnc2c1
InChIInChI=1S/C8H10O2.C7H5NO/c1-9-7-5-3-4-6-8(7)10-2;1-2-4-7-6(3-1)8-5-9-7/h3-6H,1-2H3;1-5H
InChIKeyIIGKDBQFMMNQDS-UHFFFAOYSA-N
XLogP3.53
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 161250572
CID 161250572
1,3-benzoxazole;naphthalene
CID 69020592
1,3-benzoxazole;boric acid
CID 157492468
bis(1,3-benzoxazole);thiophene
CID 68571342
bis(1,3-benzoxazole);stilbene
CID 66914199
N-(1,3-benzoxazol-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 110728880
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
1-(1,3-benzoxazol-5-yl)-4-(2-methoxyphenyl)butane-1,4-dione;ethane
CID 144689456
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
8-(2-aminophenoxy)naphthalen-1-amine;1,3-benzoxazole;carbanide;8-iodonaphthalen-1-amine
CID 158154182
1,3-benzoxazole;1,3-oxazole;1H-pyrrole
CID 174604310

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;1,2-dimethoxybenzene?
The IUPAC name of 1,3-benzoxazole;1,2-dimethoxybenzene (CID 142933115) is 1,3-benzoxazole;1,2-dimethoxybenzene.
What is the SMILES notation for 1,3-benzoxazole;1,2-dimethoxybenzene?
The canonical SMILES for 1,3-benzoxazole;1,2-dimethoxybenzene is COc1ccccc1OC.c1ccc2ocnc2c1.
What is the InChIKey of 1,3-benzoxazole;1,2-dimethoxybenzene?
The InChIKey is IIGKDBQFMMNQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H5NO/c1-9-7-5-3-4-6-8(7)10-2;1-2-4-7-6(3-1)8-5-9-7/h3-6H,1-2H3;1-5H.
What are the key properties of 1,3-benzoxazole;1,2-dimethoxybenzene?
1,3-benzoxazole;1,2-dimethoxybenzene has a molecular weight of 257.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;1,2-dimethoxybenzene is sourced from PubChem (CID 142933115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).