2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole

C17H17NO3 — CID 69363330

IUPAC2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
SMILESCCc1cc(OC)ccc1-c1nc2cc(OC)ccc2o1
InChIInChI=1S/C17H17NO3/c1-4-11-9-12(19-2)5-7-14(11)17-18-15-10-13(20-3)6-8-16(15)21-17/h5-10H,4H2,1-3H3
InChIKeyMKTRKWPRJCZZML-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole

2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole (PubChem CID 69363330) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
PubChem CID69363330
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
SMILESCCc1cc(OC)ccc1-c1nc2cc(OC)ccc2o1
InChIInChI=1S/C17H17NO3/c1-4-11-9-12(19-2)5-7-14(11)17-18-15-10-13(20-3)6-8-16(15)21-17/h5-10H,4H2,1-3H3
InChIKeyMKTRKWPRJCZZML-UHFFFAOYSA-N
XLogP4.07
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
4-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102697020
5-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696750
4-iodo-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696756
5-methoxy-2-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 115411925
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
5-butoxy-2-[4-(5-butoxy-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
CID 71366890
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 73254656
2-chloro-4-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 50874432
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole?
The IUPAC name of 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole (CID 69363330) is 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole.
What is the SMILES notation for 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole?
The canonical SMILES for 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole is CCc1cc(OC)ccc1-c1nc2cc(OC)ccc2o1.
What is the InChIKey of 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole?
The InChIKey is MKTRKWPRJCZZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-4-11-9-12(19-2)5-7-14(11)17-18-15-10-13(20-3)6-8-16(15)21-17/h5-10H,4H2,1-3H3.
What are the key properties of 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole?
2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole has a molecular weight of 283.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole is sourced from PubChem (CID 69363330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).