2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol

C20H15NO3 — CID 118228942

IUPAC2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
SMILESCOc1ccccc1-c1ccc(-c2nc3cc(O)ccc3o2)cc1
InChIInChI=1S/C20H15NO3/c1-23-18-5-3-2-4-16(18)13-6-8-14(9-7-13)20-21-17-12-15(22)10-11-19(17)24-20/h2-12,22H,1H3
InChIKeyNGSIZBOJZUPVSU-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.88
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol

2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol (PubChem CID 118228942) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
PubChem CID118228942
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
SMILESCOc1ccccc1-c1ccc(-c2nc3cc(O)ccc3o2)cc1
InChIInChI=1S/C20H15NO3/c1-23-18-5-3-2-4-16(18)13-6-8-14(9-7-13)20-21-17-12-15(22)10-11-19(17)24-20/h2-12,22H,1H3
InChIKeyNGSIZBOJZUPVSU-UHFFFAOYSA-N
XLogP4.88
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
CID 91684040
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
CID 53141190
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol
CID 102099634
2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3996670
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
5-fluoro-2-(3-methoxy-4-pyridin-2-ylphenyl)-1,3-benzoxazole
CID 10215538
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole
CID 135041738

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol?
The IUPAC name of 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol (CID 118228942) is 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol is COc1ccccc1-c1ccc(-c2nc3cc(O)ccc3o2)cc1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol?
The InChIKey is NGSIZBOJZUPVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-23-18-5-3-2-4-16(18)13-6-8-14(9-7-13)20-21-17-12-15(22)10-11-19(17)24-20/h2-12,22H,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol?
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol has a molecular weight of 317.34 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol is sourced from PubChem (CID 118228942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).