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

C17H18N2O — CID 91677714

IUPACN-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
SMILESCCNc1cccc(-c2nc3cc(CC)ccc3o2)c1
InChIInChI=1S/C17H18N2O/c1-3-12-8-9-16-15(10-12)19-17(20-16)13-6-5-7-14(11-13)18-4-2/h5-11,18H,3-4H2,1-2H3
InChIKeyQAQAMZUNWYXRNX-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.49
Rot. Bonds4

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

N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline (PubChem CID 91677714) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound NameN-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
PubChem CID91677714
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
SMILESCCNc1cccc(-c2nc3cc(CC)ccc3o2)c1
InChIInChI=1S/C17H18N2O/c1-3-12-8-9-16-15(10-12)19-17(20-16)13-6-5-7-14(11-13)18-4-2/h5-11,18H,3-4H2,1-2H3
InChIKeyQAQAMZUNWYXRNX-UHFFFAOYSA-N
XLogP4.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17100843
3-(1,3-benzoxazol-2-yl)-N-[(4-ethylphenyl)methyl]aniline
CID 19644525
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 777133
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17027173
N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 5144160
3,6-dichloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 4009990
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
N-ethyl-2-(4-iodophenyl)-1,3-benzoxazol-5-amine
CID 91682505
5-bromo-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 3966966
4-ethyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 15987513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline (CID 91677714) is N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline is CCNc1cccc(-c2nc3cc(CC)ccc3o2)c1.
What is the InChIKey of N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline?
The InChIKey is QAQAMZUNWYXRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-12-8-9-16-15(10-12)19-17(20-16)13-6-5-7-14(11-13)18-4-2/h5-11,18H,3-4H2,1-2H3.
What are the key properties of N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline?
N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline has a molecular weight of 266.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 91677714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).