2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole

C17H17NO — CID 95910929

IUPAC2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
SMILESCCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1
InChIInChI=1S/C17H17NO/c1-4-13-5-7-14(8-6-13)17-18-15-9-11(2)12(3)10-16(15)19-17/h5-10H,4H2,1-3H3
InChIKeyPHLQMRBVCYEIRT-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.67
Rot. Bonds2

About 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole

2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole (PubChem CID 95910929) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
PubChem CID95910929
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
SMILESCCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1
InChIInChI=1S/C17H17NO/c1-4-13-5-7-14(8-6-13)17-18-15-9-11(2)12(3)10-16(15)19-17/h5-10H,4H2,1-3H3
InChIKeyPHLQMRBVCYEIRT-UHFFFAOYSA-N
XLogP4.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenoxy]methyl]aniline
CID 91678619
2-(4-ethylphenyl)-6-nitro-1,3-benzoxazole
CID 25269604
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
2-(4-ethylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358248
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
5-tert-butyl-2-[4-(5-tert-butyl-6-methyl-1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole
CID 20612830
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 17163439
2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
CID 17163454
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide
CID 954530
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
CID 7339766

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole (CID 95910929) is 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole is CCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole?
The InChIKey is PHLQMRBVCYEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-4-13-5-7-14(8-6-13)17-18-15-9-11(2)12(3)10-16(15)19-17/h5-10H,4H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole?
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole has a molecular weight of 251.33 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 95910929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).