1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine

C15H18ClN3O — CID 117210033

IUPAC1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cnoc2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O/c16-12-3-1-2-11(8-12)9-15-14(10-18-20-15)19-6-4-13(17)5-7-19/h1-3,8,10,13H,4-7,9,17H2
InChIKeyMLLWAVDIRWJJGM-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.85
Rot. Bonds3

About 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine

1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine (PubChem CID 117210033) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine
PubChem CID117210033
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine
SMILESNC1CCN(c2cnoc2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClN3O/c16-12-3-1-2-11(8-12)9-15-14(10-18-20-15)19-6-4-13(17)5-7-19/h1-3,8,10,13H,4-7,9,17H2
InChIKeyMLLWAVDIRWJJGM-UHFFFAOYSA-N
XLogP2.85
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine (CID 117210033) is 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine is NC1CCN(c2cnoc2Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine?
The InChIKey is MLLWAVDIRWJJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-3-1-2-11(8-12)9-15-14(10-18-20-15)19-6-4-13(17)5-7-19/h1-3,8,10,13H,4-7,9,17H2.
What are the key properties of 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine?
1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117210033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).