1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine

C15H19ClN2O3 — CID 106224178

IUPAC1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
SMILESCCCC(N)c1cc(-c2ccc(OC)c(OC)c2Cl)no1
InChIInChI=1S/C15H19ClN2O3/c1-4-5-10(17)13-8-11(18-21-13)9-6-7-12(19-2)15(20-3)14(9)16/h6-8,10H,4-5,17H2,1-3H3
InChIKeyWKWAKAQVOOUBPD-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.81
Rot. Bonds6

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

1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine (PubChem CID 106224178) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
PubChem CID106224178
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
SMILESCCCC(N)c1cc(-c2ccc(OC)c(OC)c2Cl)no1
InChIInChI=1S/C15H19ClN2O3/c1-4-5-10(17)13-8-11(18-21-13)9-6-7-12(19-2)15(20-3)14(9)16/h6-8,10H,4-5,17H2,1-3H3
InChIKeyWKWAKAQVOOUBPD-UHFFFAOYSA-N
XLogP3.81
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223852
1-[3-(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224350
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 171221538
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
1-[3-(5-bromo-2-fluorophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160485
5-chloro-3-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 80646327
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117454226
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545
(2-chloro-3,4-dimethoxyphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 63632238
[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171221531

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine (CID 106224178) is 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine is CCCC(N)c1cc(-c2ccc(OC)c(OC)c2Cl)no1.
What is the InChIKey of 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine?
The InChIKey is WKWAKAQVOOUBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-4-5-10(17)13-8-11(18-21-13)9-6-7-12(19-2)15(20-3)14(9)16/h6-8,10H,4-5,17H2,1-3H3.
What are the key properties of 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine?
1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine has a molecular weight of 310.78 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine is sourced from PubChem (CID 106224178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).