N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine

C15H15BrN2OS — CID 61000799

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC(C)c3ccc(Br)s3)ccc2o1
InChIInChI=1S/C15H15BrN2OS/c1-3-15-18-11-8-10(4-5-12(11)19-15)17-9(2)13-6-7-14(16)20-13/h4-9,17H,3H2,1-2H3
InChIKeyGBMBZSAQDVJMJL-UHFFFAOYSA-N
MW351.27 g/mol
LogP5.39
Rot. Bonds4

About N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine (PubChem CID 61000799) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
PubChem CID61000799
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
SMILESCCc1nc2cc(NC(C)c3ccc(Br)s3)ccc2o1
InChIInChI=1S/C15H15BrN2OS/c1-3-15-18-11-8-10(4-5-12(11)19-15)17-9(2)13-6-7-14(16)20-13/h4-9,17H,3H2,1-2H3
InChIKeyGBMBZSAQDVJMJL-UHFFFAOYSA-N
XLogP5.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.27
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine
CID 63452114
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 54881596
3-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-2-methylbutan-2-ol
CID 65337571
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
2-ethyl-N-(2-methylpentyl)-1,3-benzoxazol-5-amine
CID 54866635
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 107167672
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250
2-ethyl-N-hexyl-1,3-benzoxazol-5-amine
CID 63451586
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43110726

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine (CID 61000799) is N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine is CCc1nc2cc(NC(C)c3ccc(Br)s3)ccc2o1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine?
The InChIKey is GBMBZSAQDVJMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-3-15-18-11-8-10(4-5-12(11)19-15)17-9(2)13-6-7-14(16)20-13/h4-9,17H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine has a molecular weight of 351.27 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 61000799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).