[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C16H20N4O2 — CID 109240802

IUPAC[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(Nc2cncc(C(=O)N3CCCC(C)C3)c2)no1
InChIInChI=1S/C16H20N4O2/c1-11-4-3-5-20(10-11)16(21)13-7-14(9-17-8-13)18-15-6-12(2)22-19-15/h6-9,11H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyIJFRCGZKOWLRRK-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.99
Rot. Bonds3

About [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109240802) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109240802
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(Nc2cncc(C(=O)N3CCCC(C)C3)c2)no1
InChIInChI=1S/C16H20N4O2/c1-11-4-3-5-20(10-11)16(21)13-7-14(9-17-8-13)18-15-6-12(2)22-19-15/h6-9,11H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyIJFRCGZKOWLRRK-UHFFFAOYSA-N
XLogP2.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109240802) is [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(Nc2cncc(C(=O)N3CCCC(C)C3)c2)no1.
What is the InChIKey of [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is IJFRCGZKOWLRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-4-3-5-20(10-11)16(21)13-7-14(9-17-8-13)18-15-6-12(2)22-19-15/h6-9,11H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109240802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).