5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine

C10H9ClN2O2 — CID 82114977

IUPAC5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-14-8-3-2-6(4-7(8)11)9-5-10(12)13-15-9/h2-5H,1H3,(H2,12,13)
InChIKeyMFRWMUGPVBGAPR-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.59
Rot. Bonds2

About 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine

5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 82114977) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID82114977
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-14-8-3-2-6(4-7(8)11)9-5-10(12)13-15-9/h2-5H,1H3,(H2,12,13)
InChIKeyMFRWMUGPVBGAPR-UHFFFAOYSA-N
XLogP2.59
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117448772
5-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117349806
5-[3-(1,1-difluoroethyl)-4-methoxyphenyl]-1,2-oxazol-3-amine
CID 117388329
5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 117349818
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
CID 82467213

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine (CID 82114977) is 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2cc(N)no2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is MFRWMUGPVBGAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-14-8-3-2-6(4-7(8)11)9-5-10(12)13-15-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine?
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 224.65 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82114977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).