5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine

C14H18Cl2N2O — CID 107676160

IUPAC5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine
SMILESCCC(CCN)CCc1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C14H18Cl2N2O/c1-2-9(5-6-17)3-4-13-18-12-8-10(15)7-11(16)14(12)19-13/h7-9H,2-6,17H2,1H3
InChIKeyQOAISRLFTDKVRO-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.44
Rot. Bonds6

About 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine

5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine (PubChem CID 107676160) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine
PubChem CID107676160
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine
SMILESCCC(CCN)CCc1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C14H18Cl2N2O/c1-2-9(5-6-17)3-4-13-18-12-8-10(15)7-11(16)14(12)19-13/h7-9H,2-6,17H2,1H3
InChIKeyQOAISRLFTDKVRO-UHFFFAOYSA-N
XLogP4.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 107676406
5,7-dichloro-2-(4-chlorobutyl)-1,3-benzoxazole
CID 107676446
3-(5-chloro-7-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231159
2-[2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107676050
1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 107676305
5,7-dichloro-1,3-benzoxazol-2-amine
CID 46942325
5-chloro-2-propyl-7-(trifluoromethyl)-1,3-benzoxazole
CID 82233212
5,7-dichloro-2-(2-piperidin-4-yloxyethyl)-1,3-benzoxazole
CID 107676158
(2S)-1-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-(methylamino)butan-1-ol
CID 59902539
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
CID 106814497
1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 82231129
2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676133

Frequently Asked Questions

What is the IUPAC name of 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine?
The IUPAC name of 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine (CID 107676160) is 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine.
What is the SMILES notation for 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine?
The canonical SMILES for 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine is CCC(CCN)CCc1nc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine?
The InChIKey is QOAISRLFTDKVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-9(5-6-17)3-4-13-18-12-8-10(15)7-11(16)14(12)19-13/h7-9H,2-6,17H2,1H3.
What are the key properties of 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine?
5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine has a molecular weight of 301.22 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dichloro-1,3-benzoxazol-2-yl)-3-ethylpentan-1-amine is sourced from PubChem (CID 107676160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).