methanamine;methane;3-phenyl-1,2-benzoxazole

C15H18N2O — CID 175235324

IUPACmethanamine;methane;3-phenyl-1,2-benzoxazole
SMILESC.CN.c1ccc(-c2noc3ccccc23)cc1
InChIInChI=1S/C13H9NO.CH5N.CH4/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2;/h1-9H;2H2,1H3;1H4
InChIKeyNXZMNYBADUADSB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.71
Rot. Bonds1

About methanamine;methane;3-phenyl-1,2-benzoxazole

methanamine;methane;3-phenyl-1,2-benzoxazole (PubChem CID 175235324) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is methanamine;methane;3-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Namemethanamine;methane;3-phenyl-1,2-benzoxazole
PubChem CID175235324
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Namemethanamine;methane;3-phenyl-1,2-benzoxazole
SMILESC.CN.c1ccc(-c2noc3ccccc23)cc1
InChIInChI=1S/C13H9NO.CH5N.CH4/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2;/h1-9H;2H2,1H3;1H4
InChIKeyNXZMNYBADUADSB-UHFFFAOYSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-benzoxazole
CID 153493031
6-chloro-3-phenyl-1,2-benzoxazole;methanamine;prop-1-ene
CID 174369929
3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
3-anthracen-2-yl-1,2-benzoxazole
CID 153493009
3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
CID 10355283
1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
CID 15550302
[2-(1,2-benzoxazol-3-yl)phenyl]methanamine
CID 18357457
5-chloro-6-methoxy-3-phenyl-1,2-benzoxazole
CID 15084637
5-nitro-3-phenyl-1,2-benzoxazole
CID 762566
3-phenyl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazole
CID 153492990
7-ethyl-3-phenyl-1,2-benzoxazole
CID 12562676

Frequently Asked Questions

What is the IUPAC name of methanamine;methane;3-phenyl-1,2-benzoxazole?
The IUPAC name of methanamine;methane;3-phenyl-1,2-benzoxazole (CID 175235324) is methanamine;methane;3-phenyl-1,2-benzoxazole.
What is the SMILES notation for methanamine;methane;3-phenyl-1,2-benzoxazole?
The canonical SMILES for methanamine;methane;3-phenyl-1,2-benzoxazole is C.CN.c1ccc(-c2noc3ccccc23)cc1.
What is the InChIKey of methanamine;methane;3-phenyl-1,2-benzoxazole?
The InChIKey is NXZMNYBADUADSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO.CH5N.CH4/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13;1-2;/h1-9H;2H2,1H3;1H4.
What are the key properties of methanamine;methane;3-phenyl-1,2-benzoxazole?
methanamine;methane;3-phenyl-1,2-benzoxazole has a molecular weight of 242.32 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methane;3-phenyl-1,2-benzoxazole is sourced from PubChem (CID 175235324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).