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

C16H25N5O2 — CID 56802371

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCc1nc(CN2CCCC(N(C)Cc3c(C)noc3C)C2)no1
InChIInChI=1S/C16H25N5O2/c1-11-15(12(2)22-18-11)9-20(4)14-6-5-7-21(8-14)10-16-17-13(3)23-19-16/h14H,5-10H2,1-4H3
InChIKeyDQTRDIUFBUKCGC-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.08
Rot. Bonds5

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (PubChem CID 56802371) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
PubChem CID56802371
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCc1nc(CN2CCCC(N(C)Cc3c(C)noc3C)C2)no1
InChIInChI=1S/C16H25N5O2/c1-11-15(12(2)22-18-11)9-20(4)14-6-5-7-21(8-14)10-16-17-13(3)23-19-16/h14H,5-10H2,1-4H3
InChIKeyDQTRDIUFBUKCGC-UHFFFAOYSA-N
XLogP2.08
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (CID 56802371) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is Cc1nc(CN2CCCC(N(C)Cc3c(C)noc3C)C2)no1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is DQTRDIUFBUKCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11-15(12(2)22-18-11)9-20(4)14-6-5-7-21(8-14)10-16-17-13(3)23-19-16/h14H,5-10H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 319.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 56802371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).