1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride

C14H20Cl2N2O2 — CID 23368417

IUPAC1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride
SMILESCCCC(COc1noc2ccc(Cl)cc12)N(C)C.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-4-5-11(17(2)3)9-18-14-12-8-10(15)6-7-13(12)19-16-14;/h6-8,11H,4-5,9H2,1-3H3;1H
InChIKeyWWXRDYGZHVQQBT-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.01
Rot. Bonds6

About 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride

1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride (PubChem CID 23368417) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride
PubChem CID23368417
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride
SMILESCCCC(COc1noc2ccc(Cl)cc12)N(C)C.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-4-5-11(17(2)3)9-18-14-12-8-10(15)6-7-13(12)19-16-14;/h6-8,11H,4-5,9H2,1-3H3;1H
InChIKeyWWXRDYGZHVQQBT-UHFFFAOYSA-N
XLogP4.01
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride
CID 23368565
[3-amino-4-[(5-chloro-1,2-benzoxazol-3-yl)oxy]butyl] carbamate;hydrochloride
CID 23368426
N-benzyl-1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-methoxypropan-2-amine
CID 23368527
[3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-2-(methylamino)propyl] carbamate
CID 23368480
methyl N-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propoxy]carbonylcarbamate
CID 23368391
5-chloro-3-propyl-1,2-benzoxazole
CID 177441430
3-[1-amino-2-[(5-chloro-1,2-benzoxazol-3-yl)oxy]ethyl]phenol
CID 23368377
tert-butyl N-[1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-sulfamoyloxypropan-2-yl]carbamate
CID 23368380
5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
CID 67845365
3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol
CID 23368503
(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 82020480
(2S)-1-(1,2-benzoxazol-3-yloxy)-3-methylbutan-2-amine
CID 67733558

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride?
The IUPAC name of 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride (CID 23368417) is 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride.
What is the SMILES notation for 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride?
The canonical SMILES for 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride is CCCC(COc1noc2ccc(Cl)cc12)N(C)C.Cl.
What is the InChIKey of 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride?
The InChIKey is WWXRDYGZHVQQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c1-4-5-11(17(2)3)9-18-14-12-8-10(15)6-7-13(12)19-16-14;/h6-8,11H,4-5,9H2,1-3H3;1H.
What are the key properties of 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride?
1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-N,N-dimethylpentan-2-amine;hydrochloride is sourced from PubChem (CID 23368417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).