(3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C16H22N4O2 — CID 56779029

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H22N4O2/c1-11-8-17-19(9-11)10-14-6-4-5-7-20(14)16(21)15-12(2)18-22-13(15)3/h8-9,14H,4-7,10H2,1-3H3
InChIKeyMWXQLQVESIHJPV-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.49
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779029) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779029
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H22N4O2/c1-11-8-17-19(9-11)10-14-6-4-5-7-20(14)16(21)15-12(2)18-22-13(15)3/h8-9,14H,4-7,10H2,1-3H3
InChIKeyMWXQLQVESIHJPV-UHFFFAOYSA-N
XLogP2.49
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779029) is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCCCN2C(=O)c2c(C)noc2C)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is MWXQLQVESIHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-8-17-19(9-11)10-14-6-4-5-7-20(14)16(21)15-12(2)18-22-13(15)3/h8-9,14H,4-7,10H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).