7-ethyl-3-phenyl-1,2-benzoxazole

C15H13NO — CID 12562676

IUPAC7-ethyl-3-phenyl-1,2-benzoxazole
SMILESCCc1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C15H13NO/c1-2-11-9-6-10-13-14(16-17-15(11)13)12-7-4-3-5-8-12/h3-10H,2H2,1H3
InChIKeyXBMSTMZLCSJBAB-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.06
Rot. Bonds2

About 7-ethyl-3-phenyl-1,2-benzoxazole

7-ethyl-3-phenyl-1,2-benzoxazole (PubChem CID 12562676) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 7-ethyl-3-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-ethyl-3-phenyl-1,2-benzoxazole
PubChem CID12562676
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name7-ethyl-3-phenyl-1,2-benzoxazole
SMILESCCc1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C15H13NO/c1-2-11-9-6-10-13-14(16-17-15(11)13)12-7-4-3-5-8-12/h3-10H,2H2,1H3
InChIKeyXBMSTMZLCSJBAB-UHFFFAOYSA-N
XLogP4.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole
CID 169078132
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
methyl 2-[2-[(3-phenyl-5,7-dipropyl-1,2-benzoxazol-6-yl)oxy]phenyl]acetate
CID 91318800
4-(7-amino-1,2-benzoxazol-3-yl)phenol
CID 136699603
2-[4-[4-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]butoxy]phenyl]acetic acid
CID 10004390
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235331
7-[[bis(2-methylpropyl)amino]methyl]-3-phenyl-1,2-benzoxazol-6-ol
CID 136752928
2-(2-ethyl-3-phenyl-1-benzofuran-7-yl)acetic acid
CID 3016357

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-phenyl-1,2-benzoxazole?
The IUPAC name of 7-ethyl-3-phenyl-1,2-benzoxazole (CID 12562676) is 7-ethyl-3-phenyl-1,2-benzoxazole.
What is the SMILES notation for 7-ethyl-3-phenyl-1,2-benzoxazole?
The canonical SMILES for 7-ethyl-3-phenyl-1,2-benzoxazole is CCc1cccc2c(-c3ccccc3)noc12.
What is the InChIKey of 7-ethyl-3-phenyl-1,2-benzoxazole?
The InChIKey is XBMSTMZLCSJBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-11-9-6-10-13-14(16-17-15(11)13)12-7-4-3-5-8-12/h3-10H,2H2,1H3.
What are the key properties of 7-ethyl-3-phenyl-1,2-benzoxazole?
7-ethyl-3-phenyl-1,2-benzoxazole has a molecular weight of 223.28 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-phenyl-1,2-benzoxazole is sourced from PubChem (CID 12562676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).