2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole

C16H15NO3 — CID 91684024

IUPAC2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
SMILESCOc1ccc(OC)c(-c2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C16H15NO3/c1-10-4-6-15-13(8-10)17-16(20-15)12-9-11(18-2)5-7-14(12)19-3/h4-9H,1-3H3
InChIKeyDDQSGQCVIHQLAH-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.82
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole

2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole (PubChem CID 91684024) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
PubChem CID91684024
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
SMILESCOc1ccc(OC)c(-c2nc3cc(C)ccc3o2)c1
InChIInChI=1S/C16H15NO3/c1-10-4-6-15-13(8-10)17-16(20-15)12-9-11(18-2)5-7-14(12)19-3/h4-9H,1-3H3
InChIKeyDDQSGQCVIHQLAH-UHFFFAOYSA-N
XLogP3.82
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 115411925
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
4-methoxy-N-methyl-3-[5-(4-methylphenyl)-1,3-benzoxazol-2-yl]aniline
CID 142897917
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 91684021
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
CID 69363330
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
4-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102697020
4-iodo-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696756

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole (CID 91684024) is 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole is COc1ccc(OC)c(-c2nc3cc(C)ccc3o2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is DDQSGQCVIHQLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-4-6-15-13(8-10)17-16(20-15)12-9-11(18-2)5-7-14(12)19-3/h4-9H,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole?
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 269.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 91684024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).