4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine

C16H21N3O3 — CID 117488480

IUPAC4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cnoc2N)cc1OC1CCN(C)CC1
InChIInChI=1S/C16H21N3O3/c1-19-7-5-12(6-8-19)21-15-9-11(3-4-14(15)20-2)13-10-18-22-16(13)17/h3-4,9-10,12H,5-8,17H2,1-2H3
InChIKeyCURKVMIZRIUUOX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.41
Rot. Bonds4

About 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine

4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117488480) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
PubChem CID117488480
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2cnoc2N)cc1OC1CCN(C)CC1
InChIInChI=1S/C16H21N3O3/c1-19-7-5-12(6-8-19)21-15-9-11(3-4-14(15)20-2)13-10-18-22-16(13)17/h3-4,9-10,12H,5-8,17H2,1-2H3
InChIKeyCURKVMIZRIUUOX-UHFFFAOYSA-N
XLogP2.41
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Methoxyphenyl)isoxazol-5-amine
CID 61393224
4-(3-Fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476361
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
CID 110402641
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3-fluorobenzamide
CID 110402642
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzamide
CID 110402643
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-fluorophenyl)acetamide
CID 110402656
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-3,4-difluorobenzamide
CID 110402678
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2,3,4-trifluorobenzamide
CID 110402679
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)benzamide
CID 110402680
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-1-(4-fluorophenyl)methanesulfonamide
CID 110402720
4-(3-Fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297105
4-(4-Fluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297114

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine (CID 117488480) is 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine is COc1ccc(-c2cnoc2N)cc1OC1CCN(C)CC1.
What is the InChIKey of 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is CURKVMIZRIUUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-19-7-5-12(6-8-19)21-15-9-11(3-4-14(15)20-2)13-10-18-22-16(13)17/h3-4,9-10,12H,5-8,17H2,1-2H3.
What are the key properties of 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine?
4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 303.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117488480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).