2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C12H14ClN3O2 — CID 62653150

IUPAC2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCOc1cc(Cl)ccc1-c1nc(C(C)CN)no1
InChIInChI=1S/C12H14ClN3O2/c1-7(6-14)11-15-12(18-16-11)9-4-3-8(13)5-10(9)17-2/h3-5,7H,6,14H2,1-2H3
InChIKeyXUUVPHINGZYBQO-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.46
Rot. Bonds4

About 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine

2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62653150) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62653150
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCOc1cc(Cl)ccc1-c1nc(C(C)CN)no1
InChIInChI=1S/C12H14ClN3O2/c1-7(6-14)11-15-12(18-16-11)9-4-3-8(13)5-10(9)17-2/h3-5,7H,6,14H2,1-2H3
InChIKeyXUUVPHINGZYBQO-UHFFFAOYSA-N
XLogP2.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 113296181
1-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62647161
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 82880062
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-4-chloroaniline
CID 55229981
4-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 106818844
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107992694
1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035148
5-chloro-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702480
2-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 62653143
5-[3-(1-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136966610
2-[5-(1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102006
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62651887

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62653150) is 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is COc1cc(Cl)ccc1-c1nc(C(C)CN)no1.
What is the InChIKey of 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XUUVPHINGZYBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7(6-14)11-15-12(18-16-11)9-4-3-8(13)5-10(9)17-2/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 267.72 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62653150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).