(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C22H26N4O2 — CID 70757616

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-4-19-24-15(3)21(28-19)22(27)26-11-9-16(10-12-26)20-18(13-23-25-20)17-8-6-5-7-14(17)2/h5-8,13,16H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyKCEBVSYWANLRSL-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.26
Rot. Bonds4

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 70757616) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID70757616
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-4-19-24-15(3)21(28-19)22(27)26-11-9-16(10-12-26)20-18(13-23-25-20)17-8-6-5-7-14(17)2/h5-8,13,16H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyKCEBVSYWANLRSL-UHFFFAOYSA-N
XLogP4.26
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 70757616) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is CCc1nc(C)c(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3C)CC2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is KCEBVSYWANLRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-19-24-15(3)21(28-19)22(27)26-11-9-16(10-12-26)20-18(13-23-25-20)17-8-6-5-7-14(17)2/h5-8,13,16H,4,9-12H2,1-3H3,(H,23,25).
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70757616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).