3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine

C13H11ClN2OS — CID 81434294

IUPAC3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3cccc(Cl)c3o2)c(N)s1
InChIInChI=1S/C13H11ClN2OS/c1-2-7-6-8(12(15)18-7)13-16-10-5-3-4-9(14)11(10)17-13/h3-6H,2,15H2,1H3
InChIKeyBNEVKPPNWNQSSU-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.35
Rot. Bonds2

About 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine

3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine (PubChem CID 81434294) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine.

Molecular Properties

Compound Name3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine
PubChem CID81434294
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine
SMILESCCc1cc(-c2nc3cccc(Cl)c3o2)c(N)s1
InChIInChI=1S/C13H11ClN2OS/c1-2-7-6-8(12(15)18-7)13-16-10-5-3-4-9(14)11(10)17-13/h3-6H,2,15H2,1H3
InChIKeyBNEVKPPNWNQSSU-UHFFFAOYSA-N
XLogP4.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(7-chloro-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridine-2-thione
CID 3000444
7-Chloro-5-isothiocyanato-2-thiophen-2-yl-1,3-benzoxazole
CID 12781919
5-chloro-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
CID 45784179
5-Chloro-2-(thiophen-2-yl)-1,3-benzoxazole
CID 4261762
N-[2-(1,3-benzoxazol-2-yl)phenyl]-5-chlorothiophene-2-carboxamide
CID 3299477
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-chlorothiophene-2-carboxamide
CID 7109192
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 2896778
5-Chloro-2-(3-methylthiophen-2-YL)benzo[D]oxazole
CID 76315557
5-Chloro-2-(5-methylthiophen-2-YL)benzo[D]oxazole
CID 76326440
7-Chloro-5-fluoro-2-(4-(2-methylthiazol-4-yl)but-3-ynyl)benzo[d]oxazole
CID 11616746
N-[5-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
CID 1372767
2-(7-Chloro-1,3-benzoxazol-2-yl)-4,6-dimethylthieno[2,3-b]pyridin-3-amine
CID 91742758

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine?
The IUPAC name of 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine (CID 81434294) is 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine.
What is the SMILES notation for 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine?
The canonical SMILES for 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine is CCc1cc(-c2nc3cccc(Cl)c3o2)c(N)s1.
What is the InChIKey of 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine?
The InChIKey is BNEVKPPNWNQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-2-7-6-8(12(15)18-7)13-16-10-5-3-4-9(14)11(10)17-13/h3-6H,2,15H2,1H3.
What are the key properties of 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine?
3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine has a molecular weight of 278.76 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine is sourced from PubChem (CID 81434294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).