5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine

C15H14N2O2 — CID 82095441

IUPAC5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine
SMILESCc1cc(N)c2oc(COc3ccccc3)nc2c1
InChIInChI=1S/C15H14N2O2/c1-10-7-12(16)15-13(8-10)17-14(19-15)9-18-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyHDAZWEWLRDFBHU-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.30
Rot. Bonds3

About 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine

5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine (PubChem CID 82095441) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine
PubChem CID82095441
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine
SMILESCc1cc(N)c2oc(COc3ccccc3)nc2c1
InChIInChI=1S/C15H14N2O2/c1-10-7-12(16)15-13(8-10)17-14(19-15)9-18-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3
InChIKeyHDAZWEWLRDFBHU-UHFFFAOYSA-N
XLogP3.30
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-amine
CID 56687162
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357531
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
(5,7-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 79001891
[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine
CID 81317575
5-ethyl-2-(2-phenylethyl)-1,3-benzoxazol-7-amine
CID 82095491
2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole
CID 10445998
2-(methoxymethyl)-7-methyl-1,3-benzoxazol-5-amine
CID 91679204
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine (CID 82095441) is 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine is Cc1cc(N)c2oc(COc3ccccc3)nc2c1.
What is the InChIKey of 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine?
The InChIKey is HDAZWEWLRDFBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-7-12(16)15-13(8-10)17-14(19-15)9-18-11-5-3-2-4-6-11/h2-8H,9,16H2,1H3.
What are the key properties of 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine?
5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine has a molecular weight of 254.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(phenoxymethyl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 82095441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).