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

C13H15ClN2O2 — CID 106223910

IUPAC1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2ccc(OC)c(Cl)c2)no1
InChIInChI=1S/C13H15ClN2O2/c1-3-10(15)13-7-11(16-18-13)8-4-5-12(17-2)9(14)6-8/h4-7,10H,3,15H2,1-2H3
InChIKeyFJRFKNNVOVFGOH-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.41
Rot. Bonds4

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

1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 106223910) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
PubChem CID106223910
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2ccc(OC)c(Cl)c2)no1
InChIInChI=1S/C13H15ClN2O2/c1-3-10(15)13-7-11(16-18-13)8-4-5-12(17-2)9(14)6-8/h4-7,10H,3,15H2,1-2H3
InChIKeyFJRFKNNVOVFGOH-UHFFFAOYSA-N
XLogP3.41
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223852
1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224178
1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106224091
1-[3-(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224350
1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223951
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
CID 170889123
3-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butanal
CID 22727348
1-[5-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323783
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine (CID 106223910) is 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine is CCC(N)c1cc(-c2ccc(OC)c(Cl)c2)no1.
What is the InChIKey of 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is FJRFKNNVOVFGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-10(15)13-7-11(16-18-13)8-4-5-12(17-2)9(14)6-8/h4-7,10H,3,15H2,1-2H3.
What are the key properties of 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine?
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 266.73 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 106223910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).