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

C16H20ClN3O — CID 79994471

IUPAC1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C16H20ClN3O/c1-11-6-14(18)9-20(8-11)10-16-19-7-15(21-16)12-2-4-13(17)5-3-12/h2-5,7,11,14H,6,8-10,18H2,1H3
InChIKeyJJRAFQXQFRCWRO-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.16
Rot. Bonds3

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

1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine (PubChem CID 79994471) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine
PubChem CID79994471
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C16H20ClN3O/c1-11-6-14(18)9-20(8-11)10-16-19-7-15(21-16)12-2-4-13(17)5-3-12/h2-5,7,11,14H,6,8-10,18H2,1H3
InChIKeyJJRAFQXQFRCWRO-UHFFFAOYSA-N
XLogP3.16
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062017
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959
5-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
CID 79992774
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine
CID 79993305
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
2,6-dimethyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 51072746
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542755
3-(4-chlorophenyl)-5-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 8539727
5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 79993658
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788948
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
CID 119924998
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine (CID 79994471) is 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine is CC1CC(N)CN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine?
The InChIKey is JJRAFQXQFRCWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-6-14(18)9-20(8-11)10-16-19-7-15(21-16)12-2-4-13(17)5-3-12/h2-5,7,11,14H,6,8-10,18H2,1H3.
What are the key properties of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine?
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine has a molecular weight of 305.81 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 79994471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).