4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C22H22N4O — CID 29182934

IUPAC4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(-c2cccc(-c3ccn(Cc4c(C)noc4C)n3)c2)c(C)n1
InChIInChI=1S/C22H22N4O/c1-14-8-9-20(15(2)23-14)18-6-5-7-19(12-18)22-10-11-26(24-22)13-21-16(3)25-27-17(21)4/h5-12H,13H2,1-4H3
InChIKeyNMMRKVCSACXOJN-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.88
Rot. Bonds4

About 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 29182934) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID29182934
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(-c2cccc(-c3ccn(Cc4c(C)noc4C)n3)c2)c(C)n1
InChIInChI=1S/C22H22N4O/c1-14-8-9-20(15(2)23-14)18-6-5-7-19(12-18)22-10-11-26(24-22)13-21-16(3)25-27-17(21)4/h5-12H,13H2,1-4H3
InChIKeyNMMRKVCSACXOJN-UHFFFAOYSA-N
XLogP4.88
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 29182934) is 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1ccc(-c2cccc(-c3ccn(Cc4c(C)noc4C)n3)c2)c(C)n1.
What is the InChIKey of 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NMMRKVCSACXOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-8-9-20(15(2)23-14)18-6-5-7-19(12-18)22-10-11-26(24-22)13-21-16(3)25-27-17(21)4/h5-12H,13H2,1-4H3.
What are the key properties of 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 358.45 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(2,6-dimethyl-3-pyridinyl)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 29182934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).