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

C19H28N4O — CID 129252274

IUPAC1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NCC(C)C)CC2)c(-c2cc(C)no2)c1
InChIInChI=1S/C19H28N4O/c1-13(2)11-20-16-5-7-23(8-6-16)19-17(9-14(3)12-21-19)18-10-15(4)22-24-18/h9-10,12-13,16,20H,5-8,11H2,1-4H3
InChIKeyQKSFTNOSUHUIHC-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.57
Rot. Bonds5

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

1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 129252274) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID129252274
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NCC(C)C)CC2)c(-c2cc(C)no2)c1
InChIInChI=1S/C19H28N4O/c1-13(2)11-20-16-5-7-23(8-6-16)19-17(9-14(3)12-21-19)18-10-15(4)22-24-18/h9-10,12-13,16,20H,5-8,11H2,1-4H3
InChIKeyQKSFTNOSUHUIHC-UHFFFAOYSA-N
XLogP3.57
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine (CID 129252274) is 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine is Cc1cnc(N2CCC(NCC(C)C)CC2)c(-c2cc(C)no2)c1.
What is the InChIKey of 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is QKSFTNOSUHUIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13(2)11-20-16-5-7-23(8-6-16)19-17(9-14(3)12-21-19)18-10-15(4)22-24-18/h9-10,12-13,16,20H,5-8,11H2,1-4H3.
What are the key properties of 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine?
1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 129252274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).