3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole

C17H13N3O — CID 14575017

IUPAC3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole
SMILESc1ccc(-c2ccc3onc(Cn4ccnc4)c3c2)cc1
InChIInChI=1S/C17H13N3O/c1-2-4-13(5-3-1)14-6-7-17-15(10-14)16(19-21-17)11-20-9-8-18-12-20/h1-10,12H,11H2
InChIKeyDDHWWSUCFODLFX-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.74
Rot. Bonds3

About 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole

3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole (PubChem CID 14575017) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole
PubChem CID14575017
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole
SMILESc1ccc(-c2ccc3onc(Cn4ccnc4)c3c2)cc1
InChIInChI=1S/C17H13N3O/c1-2-4-13(5-3-1)14-6-7-17-15(10-14)16(19-21-17)11-20-9-8-18-12-20/h1-10,12H,11H2
InChIKeyDDHWWSUCFODLFX-UHFFFAOYSA-N
XLogP3.74
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(imidazol-1-ylmethyl)benzo[f][1,2]benzoxazole;hydrochloride
CID 22165654
2-(imidazol-1-ylmethyl)-4-(3-phenylphenyl)pyrido[2,3-b]pyrazin-3-one
CID 22724344
1-[(3-phenylpyrrol-1-yl)methyl]imidazole
CID 141118913
imidazol-1-ylmethyl-methoxy-methyl-(4-phenylphenyl)silane
CID 70477499
1-[(1-methylnaphthalen-2-yl)methyl]imidazole
CID 172812085
2-imidazol-1-ylethyl-bis(4-phenylphenyl)silane
CID 173417558
5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
CID 23644764
4-(imidazol-1-ylmethyl)-2-phenylpyrimidine
CID 131736320
3-(imidazol-1-ylmethyl)benzene-1,2-diol
CID 11159799
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 37424973
3-(imidazol-1-ylmethyl)-5-methoxy-1-phenylbenzo[g]indazole
CID 162734653
2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde
CID 174678056

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole?
The IUPAC name of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole (CID 14575017) is 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole is c1ccc(-c2ccc3onc(Cn4ccnc4)c3c2)cc1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole?
The InChIKey is DDHWWSUCFODLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-4-13(5-3-1)14-6-7-17-15(10-14)16(19-21-17)11-20-9-8-18-12-20/h1-10,12H,11H2.
What are the key properties of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole?
3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole has a molecular weight of 275.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole is sourced from PubChem (CID 14575017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).