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

C16H22N4O2 — CID 75461800

IUPAC(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C16H22N4O2/c1-11(2)15-14(12(3)18-22-15)16(21)19-9-5-13(6-10-19)20-8-4-7-17-20/h4,7-8,11,13H,5-6,9-10H2,1-3H3
InChIKeyGYKMMCIDFBFLSB-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.78
Rot. Bonds3

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

(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (PubChem CID 75461800) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
PubChem CID75461800
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
SMILESCc1noc(C(C)C)c1C(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C16H22N4O2/c1-11(2)15-14(12(3)18-22-15)16(21)19-9-5-13(6-10-19)20-8-4-7-17-20/h4,7-8,11,13H,5-6,9-10H2,1-3H3
InChIKeyGYKMMCIDFBFLSB-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone (CID 75461800) is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is Cc1noc(C(C)C)c1C(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is GYKMMCIDFBFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)15-14(12(3)18-22-15)16(21)19-9-5-13(6-10-19)20-8-4-7-17-20/h4,7-8,11,13H,5-6,9-10H2,1-3H3.
What are the key properties of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone?
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 75461800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).