1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine

C15H20ClN3O2 — CID 114321952

IUPAC1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCCCc1noc(COc2cccc(Cl)c2CC(C)N)n1
InChIInChI=1S/C15H20ClN3O2/c1-3-5-14-18-15(21-19-14)9-20-13-7-4-6-12(16)11(13)8-10(2)17/h4,6-7,10H,3,5,8-9,17H2,1-2H3
InChIKeyDMMQJBNGUUTEDU-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.14
Rot. Bonds7

About 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine

1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 114321952) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID114321952
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCCCc1noc(COc2cccc(Cl)c2CC(C)N)n1
InChIInChI=1S/C15H20ClN3O2/c1-3-5-14-18-15(21-19-14)9-20-13-7-4-6-12(16)11(13)8-10(2)17/h4,6-7,10H,3,5,8-9,17H2,1-2H3
InChIKeyDMMQJBNGUUTEDU-UHFFFAOYSA-N
XLogP3.14
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495181
2-[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 113277114
5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 113277151
[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320682
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 114321907
1-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 62653406
1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495555
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine (CID 114321952) is 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is CCCc1noc(COc2cccc(Cl)c2CC(C)N)n1.
What is the InChIKey of 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is DMMQJBNGUUTEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-3-5-14-18-15(21-19-14)9-20-13-7-4-6-12(16)11(13)8-10(2)17/h4,6-7,10H,3,5,8-9,17H2,1-2H3.
What are the key properties of 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 309.80 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 114321952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).