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

C17H27N5O2 — CID 95614088

IUPAC(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
SMILESCCc1nc(CN2CCC[C@@H](N(C)Cc3c(C)noc3C)C2)no1
InChIInChI=1S/C17H27N5O2/c1-5-17-18-16(20-24-17)11-22-8-6-7-14(9-22)21(4)10-15-12(2)19-23-13(15)3/h14H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyMWSVEVVZSZTISL-CQSZACIVSA-N
MW333.44 g/mol
LogP2.33
Rot. Bonds6

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

(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 95614088) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID95614088
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
SMILESCCc1nc(CN2CCC[C@@H](N(C)Cc3c(C)noc3C)C2)no1
InChIInChI=1S/C17H27N5O2/c1-5-17-18-16(20-24-17)11-22-8-6-7-14(9-22)21(4)10-15-12(2)19-23-13(15)3/h14H,5-11H2,1-4H3/t14-/m1/s1
InChIKeyMWSVEVVZSZTISL-CQSZACIVSA-N
XLogP2.33
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine (CID 95614088) is (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine is CCc1nc(CN2CCC[C@@H](N(C)Cc3c(C)noc3C)C2)no1.
What is the InChIKey of (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is MWSVEVVZSZTISL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-5-17-18-16(20-24-17)11-22-8-6-7-14(9-22)21(4)10-15-12(2)19-23-13(15)3/h14H,5-11H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine?
(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 333.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 95614088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).