4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline

C17H18N2O — CID 91684357

IUPAC4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
SMILESCCc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C17H18N2O/c1-4-12-5-10-16-15(11-12)18-17(20-16)13-6-8-14(9-7-13)19(2)3/h5-11H,4H2,1-3H3
InChIKeyGBSOLODHNFSCMZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.12
Rot. Bonds3

About 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline

4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline (PubChem CID 91684357) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
PubChem CID91684357
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
SMILESCCc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C17H18N2O/c1-4-12-5-10-16-15(11-12)18-17(20-16)13-6-8-14(9-7-13)19(2)3/h5-11H,4H2,1-3H3
InChIKeyGBSOLODHNFSCMZ-UHFFFAOYSA-N
XLogP4.12
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 170202374
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658136
4-[(E)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethenyl]-N,N-dimethylaniline
CID 25211870
4-[5-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 144970947
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
CID 91678694
5-hexyl-2-(4-octylphenyl)-1,3-benzoxazole
CID 19021147
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-5-ethyl-1,3-benzoxazole
CID 100817823
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334885
2-chloro-N'-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]ethanimidamide
CID 169367890

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline (CID 91684357) is 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline is CCc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1.
What is the InChIKey of 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline?
The InChIKey is GBSOLODHNFSCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-4-12-5-10-16-15(11-12)18-17(20-16)13-6-8-14(9-7-13)19(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline?
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline has a molecular weight of 266.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 91684357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).