(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

C14H18N4O2 — CID 75461799

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H18N4O2/c1-10-13(11(2)20-16-10)14(19)17-8-4-12(5-9-17)18-7-3-6-15-18/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyOXMXUGYCEOAFGB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.97
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 75461799) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID75461799
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H18N4O2/c1-10-13(11(2)20-16-10)14(19)17-8-4-12(5-9-17)18-7-3-6-15-18/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyOXMXUGYCEOAFGB-UHFFFAOYSA-N
XLogP1.97
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.97
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)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (CID 75461799) is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is OXMXUGYCEOAFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-13(11(2)20-16-10)14(19)17-8-4-12(5-9-17)18-7-3-6-15-18/h3,6-7,12H,4-5,8-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 1.97, 2 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)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 75461799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).