N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine

C15H19ClN2O2 — CID 62074246

IUPACN-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)ccc1OCc1ccno1
InChIInChI=1S/C15H19ClN2O2/c1-3-7-17-11(2)14-9-12(16)4-5-15(14)19-10-13-6-8-18-20-13/h4-6,8-9,11,17H,3,7,10H2,1-2H3
InChIKeyGSZYBLDRZYCHJV-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.97
Rot. Bonds7

About N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine

N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 62074246) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
PubChem CID62074246
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)ccc1OCc1ccno1
InChIInChI=1S/C15H19ClN2O2/c1-3-7-17-11(2)14-9-12(16)4-5-15(14)19-10-13-6-8-18-20-13/h4-6,8-9,11,17H,3,7,10H2,1-2H3
InChIKeyGSZYBLDRZYCHJV-UHFFFAOYSA-N
XLogP3.97
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 62074736
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315
1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 60882098
N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
N-ethyl-1-[4-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 63640834
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947607
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 62074239

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine (CID 62074246) is N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(Cl)ccc1OCc1ccno1.
What is the InChIKey of N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is GSZYBLDRZYCHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-7-17-11(2)14-9-12(16)4-5-15(14)19-10-13-6-8-18-20-13/h4-6,8-9,11,17H,3,7,10H2,1-2H3.
What are the key properties of N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 294.78 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62074246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).