[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium

C15H15N2O+ — CID 7339766

IUPAC[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
SMILESCc1ccc2nc(-c3ccc(C[NH3+])cc3)oc2c1
InChIInChI=1S/C15H14N2O/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3/p+1
InChIKeyVHBQFBZSMNLDCO-UHFFFAOYSA-O
MW239.30 g/mol
LogP2.55
Rot. Bonds2

About [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium

[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium (PubChem CID 7339766) has the molecular formula C15H15N2O+ and a molecular weight of 239.30 g/mol. Its IUPAC name is [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium.

Molecular Properties

Compound Name[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
PubChem CID7339766
Molecular FormulaC15H15N2O+
Molecular Weight239.30 g/mol
Exact Mass239.12
IUPAC Name[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
SMILESCc1ccc2nc(-c3ccc(C[NH3+])cc3)oc2c1
InChIInChI=1S/C15H14N2O/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3/p+1
InChIKeyVHBQFBZSMNLDCO-UHFFFAOYSA-O
XLogP2.55
TPSA53.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
(2-phenyl-1,3-benzoxazol-6-yl) 3-(4-methylphenyl)propanoate
CID 110494619
2-fluoro-4-(6-methyl-1,3-benzoxazol-2-yl)aniline
CID 55158304
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 17078844
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium?
The IUPAC name of [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium (CID 7339766) is [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium.
What is the SMILES notation for [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium?
The canonical SMILES for [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium is Cc1ccc2nc(-c3ccc(C[NH3+])cc3)oc2c1.
What is the InChIKey of [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium?
The InChIKey is VHBQFBZSMNLDCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14N2O/c1-10-2-7-13-14(8-10)18-15(17-13)12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3/p+1.
What are the key properties of [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium?
[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium has a molecular weight of 239.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium is sourced from PubChem (CID 7339766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).