5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole

C18H15N3O — CID 56738278

IUPAC5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole
SMILESCc1oc(-c2ccc3ccccc3c2)nc1Cn1cccn1
InChIInChI=1S/C18H15N3O/c1-13-17(12-21-10-4-9-19-21)20-18(22-13)16-8-7-14-5-2-3-6-15(14)11-16/h2-11H,12H2,1H3
InChIKeyMLQMBSDEKBSEDQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.05
Rot. Bonds3

About 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole

5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole (PubChem CID 56738278) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole
PubChem CID56738278
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole
SMILESCc1oc(-c2ccc3ccccc3c2)nc1Cn1cccn1
InChIInChI=1S/C18H15N3O/c1-13-17(12-21-10-4-9-19-21)20-18(22-13)16-8-7-14-5-2-3-6-15(14)11-16/h2-11H,12H2,1H3
InChIKeyMLQMBSDEKBSEDQ-UHFFFAOYSA-N
XLogP4.05
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole (CID 56738278) is 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole is Cc1oc(-c2ccc3ccccc3c2)nc1Cn1cccn1.
What is the InChIKey of 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is MLQMBSDEKBSEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-13-17(12-21-10-4-9-19-21)20-18(22-13)16-8-7-14-5-2-3-6-15(14)11-16/h2-11H,12H2,1H3.
What are the key properties of 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole?
5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 289.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-naphthalen-2-yl-4-(pyrazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 56738278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).